1-[2-(hydroxymethyl)-4,5-dimethoxyphenyl]cyclopentan-1-ol

C14H20O4 — CID 908982

IUPAC1-[2-(hydroxymethyl)-4,5-dimethoxyphenyl]cyclopentan-1-ol
SMILESCOc1cc(CO)c(C2(O)CCCC2)cc1OC
InChIInChI=1S/C14H20O4/c1-17-12-7-10(9-15)11(8-13(12)18-2)14(16)5-3-4-6-14/h7-8,15-16H,3-6,9H2,1-2H3
InChIKeyLXLZPUOLPPBGKZ-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.96
Rot. Bonds4

About 1-[2-(hydroxymethyl)-4,5-dimethoxyphenyl]cyclopentan-1-ol

1-[2-(hydroxymethyl)-4,5-dimethoxyphenyl]cyclopentan-1-ol (PubChem CID 908982) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)-4,5-dimethoxyphenyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)-4,5-dimethoxyphenyl]cyclopentan-1-ol
PubChem CID908982
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name1-[2-(hydroxymethyl)-4,5-dimethoxyphenyl]cyclopentan-1-ol
SMILESCOc1cc(CO)c(C2(O)CCCC2)cc1OC
InChIInChI=1S/C14H20O4/c1-17-12-7-10(9-15)11(8-13(12)18-2)14(16)5-3-4-6-14/h7-8,15-16H,3-6,9H2,1-2H3
InChIKeyLXLZPUOLPPBGKZ-UHFFFAOYSA-N
XLogP1.96
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-(hydroxymethyl)-4,5-dimethoxyphenyl]cyclopentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)-4,5-dimethoxyphenyl]cyclopentan-1-ol?
The IUPAC name of 1-[2-(hydroxymethyl)-4,5-dimethoxyphenyl]cyclopentan-1-ol (CID 908982) is 1-[2-(hydroxymethyl)-4,5-dimethoxyphenyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[2-(hydroxymethyl)-4,5-dimethoxyphenyl]cyclopentan-1-ol?
The canonical SMILES for 1-[2-(hydroxymethyl)-4,5-dimethoxyphenyl]cyclopentan-1-ol is COc1cc(CO)c(C2(O)CCCC2)cc1OC.
What is the InChIKey of 1-[2-(hydroxymethyl)-4,5-dimethoxyphenyl]cyclopentan-1-ol?
The InChIKey is LXLZPUOLPPBGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-17-12-7-10(9-15)11(8-13(12)18-2)14(16)5-3-4-6-14/h7-8,15-16H,3-6,9H2,1-2H3.
What are the key properties of 1-[2-(hydroxymethyl)-4,5-dimethoxyphenyl]cyclopentan-1-ol?
1-[2-(hydroxymethyl)-4,5-dimethoxyphenyl]cyclopentan-1-ol has a molecular weight of 252.31 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)-4,5-dimethoxyphenyl]cyclopentan-1-ol is sourced from PubChem (CID 908982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).