p-Cymene-2-carboxylic acid, 6-allyl-3-hydroxy-, allyl ester
TL;DR: p-Cymene-2-carboxylic acid, 6-allyl-3-hydroxy-, allyl ester (CAS 101077-10-5) is a chemical compound with molecular formula C17H22O3 and molecular weight 274.1569 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
prop-2-enyl 2-hydroxy-6-methyl-3-propan-2-yl-5-prop-2-enylbenzoate
Also Known As: Allyl 5-allyl-2-hydroxy-3-isopropyl-6-methylbenzoate, p-CYMENE-2-CARBOXYLIC ACID, 6-ALLYL-3-HYDROXY-, ALLYL ESTER, 6-Allyl-3-hydroxy-p-cymene-2-carboxylic acid allyl ester, 3-Hydroxy-6-allyl-p-cymene-2-carboxylic acid allyl ester, prop-2-en-1-yl 2-hydroxy-6-methyl-3-(propan-2-yl)-5-(prop-2-en-1-yl)benzoate
Technical Specifications
| Molecular Formula | C17H22O3 |
| Molecular Weight | 274.1569 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 274.1569 Da |
| Heavy Atoms | 20 |
| Complexity | 348.0 |
| SMILES | CC1=C(C(=C(C=C1CC=C)C(C)C)O)C(=O)OCC=C |
| InChIKey | DRJPJBHLGKEDDU-UHFFFAOYSA-N |
Chemical Property Profile of p-Cymene-2-carboxylic acid, 6-allyl-3-hydroxy-, allyl ester
Property Insights of p-Cymene-2-carboxylic acid, 6-allyl-3-hydroxy-, allyl ester
The XLogP value of 5.2 indicates that p-Cymene-2-carboxylic acid, 6-allyl-3-hydroxy-, allyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, p-Cymene-2-carboxylic acid, 6-allyl-3-hydroxy-, allyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Cymene-2-carboxylic acid, 6-allyl-3-hydroxy-, allyl ester has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of p-Cymene-2-carboxylic acid, 6-allyl-3-hydroxy-, allyl ester?
The CAS number of p-Cymene-2-carboxylic acid, 6-allyl-3-hydroxy-, allyl ester is 101077-10-5.
What is the molecular formula of p-Cymene-2-carboxylic acid, 6-allyl-3-hydroxy-, allyl ester?
The molecular formula of p-Cymene-2-carboxylic acid, 6-allyl-3-hydroxy-, allyl ester is C17H22O3.
What is the molecular weight of p-Cymene-2-carboxylic acid, 6-allyl-3-hydroxy-, allyl ester?
The molecular weight of p-Cymene-2-carboxylic acid, 6-allyl-3-hydroxy-, allyl ester is 274.1569 g/mol.
Where can I buy p-Cymene-2-carboxylic acid, 6-allyl-3-hydroxy-, allyl ester?
You can request a quote for p-Cymene-2-carboxylic acid, 6-allyl-3-hydroxy-, allyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for p-Cymene-2-carboxylic acid, 6-allyl-3-hydroxy-, allyl ester?
Yes, CoreyChem provides custom synthesis services for p-Cymene-2-carboxylic acid, 6-allyl-3-hydroxy-, allyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.