1-Heptanol, 2-(phenylmethylene)-
TL;DR: 1-Heptanol, 2-(phenylmethylene)- (CAS 101-85-9) is a chemical compound with molecular formula C14H20O and molecular weight 204.15141 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-benzylideneheptan-1-ol
Also Known As: Buxinol, 2-benzylideneheptan-1-ol, alpha-Amylcinnamyl alcohol, alcohol, 2-Benzylideneheptanol
Application Areas
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H20O |
| Molecular Weight | 204.15141 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 204.15141 Da |
| Heavy Atoms | 15 |
| Complexity | 178.0 |
| Density | 0.954-0.962 |
| Refractive Index | 1.533-1.540 |
| Solubility | insoluble in water |
| SMILES | CCCCCC(=CC1=CC=CC=C1)CO |
| InChIKey | LIPHCKNQPJXUQF-UHFFFAOYSA-N |
Chemical Property Profile of 1-Heptanol, 2-(phenylmethylene)-
Property Insights of 1-Heptanol, 2-(phenylmethylene)-
The XLogP value of 4.4 indicates that 1-Heptanol, 2-(phenylmethylene)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 1-Heptanol, 2-(phenylmethylene)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Heptanol, 2-(phenylmethylene)- has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-Heptanol, 2-(phenylmethylene)-?
The CAS number of 1-Heptanol, 2-(phenylmethylene)- is 101-85-9.
What is the molecular formula of 1-Heptanol, 2-(phenylmethylene)-?
The molecular formula of 1-Heptanol, 2-(phenylmethylene)- is C14H20O.
What is the molecular weight of 1-Heptanol, 2-(phenylmethylene)-?
The molecular weight of 1-Heptanol, 2-(phenylmethylene)- is 204.15141 g/mol.
Where can I buy 1-Heptanol, 2-(phenylmethylene)-?
You can request a quote for 1-Heptanol, 2-(phenylmethylene)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Heptanol, 2-(phenylmethylene)-?
Yes, CoreyChem provides custom synthesis services for 1-Heptanol, 2-(phenylmethylene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.