(2-chloro-3,4-dimethoxyphenyl)methanol

C9H11ClO3 — CID 2775134

IUPAC(2-chloro-3,4-dimethoxyphenyl)methanol
SMILESCOc1ccc(CO)c(Cl)c1OC
InChIInChI=1S/C9H11ClO3/c1-12-7-4-3-6(5-11)8(10)9(7)13-2/h3-4,11H,5H2,1-2H3
InChIKeyZXYBQLFOEYWYBM-UHFFFAOYSA-N
MW202.64 g/mol
LogP1.85
Rot. Bonds3

About (2-chloro-3,4-dimethoxyphenyl)methanol

(2-chloro-3,4-dimethoxyphenyl)methanol (PubChem CID 2775134) has the molecular formula C9H11ClO3 and a molecular weight of 202.64 g/mol. Its IUPAC name is (2-chloro-3,4-dimethoxyphenyl)methanol.

Molecular Properties

Compound Name(2-chloro-3,4-dimethoxyphenyl)methanol
PubChem CID2775134
Molecular FormulaC9H11ClO3
Molecular Weight202.64 g/mol
Exact Mass202.04
IUPAC Name(2-chloro-3,4-dimethoxyphenyl)methanol
SMILESCOc1ccc(CO)c(Cl)c1OC
InChIInChI=1S/C9H11ClO3/c1-12-7-4-3-6(5-11)8(10)9(7)13-2/h3-4,11H,5H2,1-2H3
InChIKeyZXYBQLFOEYWYBM-UHFFFAOYSA-N
XLogP1.85
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-3,4-dimethoxyphenyl)methanol?
The IUPAC name of (2-chloro-3,4-dimethoxyphenyl)methanol (CID 2775134) is (2-chloro-3,4-dimethoxyphenyl)methanol.
What is the SMILES notation for (2-chloro-3,4-dimethoxyphenyl)methanol?
The canonical SMILES for (2-chloro-3,4-dimethoxyphenyl)methanol is COc1ccc(CO)c(Cl)c1OC.
What is the InChIKey of (2-chloro-3,4-dimethoxyphenyl)methanol?
The InChIKey is ZXYBQLFOEYWYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO3/c1-12-7-4-3-6(5-11)8(10)9(7)13-2/h3-4,11H,5H2,1-2H3.
What are the key properties of (2-chloro-3,4-dimethoxyphenyl)methanol?
(2-chloro-3,4-dimethoxyphenyl)methanol has a molecular weight of 202.64 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3,4-dimethoxyphenyl)methanol is sourced from PubChem (CID 2775134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).