(3,4-dimethoxyphenyl)methanol

C9H12O3 — CID 7118

IUPAC(3,4-dimethoxyphenyl)methanol
SMILESCOc1ccc(CO)cc1OC
InChIInChI=1S/C9H12O3/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-5,10H,6H2,1-2H3
InChIKeyOEGPRYNGFWGMMV-UHFFFAOYSA-N
MW168.19 g/mol
LogP1.20
Rot. Bonds3

About (3,4-dimethoxyphenyl)methanol

(3,4-dimethoxyphenyl)methanol (PubChem CID 7118) has the molecular formula C9H12O3 and a molecular weight of 168.19 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)methanol.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)methanol
PubChem CID7118
Molecular FormulaC9H12O3
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Name(3,4-dimethoxyphenyl)methanol
SMILESCOc1ccc(CO)cc1OC
InChIInChI=1S/C9H12O3/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-5,10H,6H2,1-2H3
InChIKeyOEGPRYNGFWGMMV-UHFFFAOYSA-N
XLogP1.20
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)methanol?
The IUPAC name of (3,4-dimethoxyphenyl)methanol (CID 7118) is (3,4-dimethoxyphenyl)methanol.
What is the SMILES notation for (3,4-dimethoxyphenyl)methanol?
The canonical SMILES for (3,4-dimethoxyphenyl)methanol is COc1ccc(CO)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)methanol?
The InChIKey is OEGPRYNGFWGMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-5,10H,6H2,1-2H3.
What are the key properties of (3,4-dimethoxyphenyl)methanol?
(3,4-dimethoxyphenyl)methanol has a molecular weight of 168.19 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)methanol is sourced from PubChem (CID 7118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).