5-(Hydroxymethyl)-3-(3-methylbut-2-enyl)benzene-1,2-diol
TL;DR: 5-(Hydroxymethyl)-3-(3-methylbut-2-enyl)benzene-1,2-diol (CAS 167504-49-6) is a chemical compound with molecular formula C12H16O3 and molecular weight 208.10994 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(hydroxymethyl)-3-(3-methylbut-2-enyl)benzene-1,2-diol
Also Known As: 3,4-dihydroxy-5-prenylbenzyl alcohol, 5-(hydroxymethyl)-3-(3-methylbut-2-enyl)benzene-1,2-diol, 1,2-Benzenediol,5-(hydroxymethyl)-3-(3-methyl-2-butenyl)-(9CI), 1-[2',3'-dihydroxy-5'-(hydroxymethyl)phenyl]-3-methyl-but-2-ene, 3-(3-Methyl-2-butenyl)-5-(hydroxymethyl)-1,2-benzenediol
Technical Specifications
| Molecular Formula | C12H16O3 |
| Molecular Weight | 208.10994 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 60.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.10994 Da |
| Heavy Atoms | 15 |
| Complexity | 221.0 |
| SMILES | CC(=CCC1=C(C(=CC(=C1)CO)O)O)C |
| InChIKey | IGPVDMRGJYQIFC-UHFFFAOYSA-N |
Chemical Property Profile of 5-(Hydroxymethyl)-3-(3-methylbut-2-enyl)benzene-1,2-diol
Property Insights of 5-(Hydroxymethyl)-3-(3-methylbut-2-enyl)benzene-1,2-diol
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Hydroxymethyl)-3-(3-methylbut-2-enyl)benzene-1,2-diol. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Hydroxymethyl)-3-(3-methylbut-2-enyl)benzene-1,2-diol. Following Lipinski's Rule of Five, 5-(Hydroxymethyl)-3-(3-methylbut-2-enyl)benzene-1,2-diol has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-(Hydroxymethyl)-3-(3-methylbut-2-enyl)benzene-1,2-diol?
The CAS number of 5-(Hydroxymethyl)-3-(3-methylbut-2-enyl)benzene-1,2-diol is 167504-49-6.
What is the molecular formula of 5-(Hydroxymethyl)-3-(3-methylbut-2-enyl)benzene-1,2-diol?
The molecular formula of 5-(Hydroxymethyl)-3-(3-methylbut-2-enyl)benzene-1,2-diol is C12H16O3.
What is the molecular weight of 5-(Hydroxymethyl)-3-(3-methylbut-2-enyl)benzene-1,2-diol?
The molecular weight of 5-(Hydroxymethyl)-3-(3-methylbut-2-enyl)benzene-1,2-diol is 208.10994 g/mol.
Where can I buy 5-(Hydroxymethyl)-3-(3-methylbut-2-enyl)benzene-1,2-diol?
You can request a quote for 5-(Hydroxymethyl)-3-(3-methylbut-2-enyl)benzene-1,2-diol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(Hydroxymethyl)-3-(3-methylbut-2-enyl)benzene-1,2-diol?
Yes, CoreyChem provides custom synthesis services for 5-(Hydroxymethyl)-3-(3-methylbut-2-enyl)benzene-1,2-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.