2-[3-(3,4-dimethoxyphenyl)cyclopentyl]acetic acid

C15H20O4 — CID 82303682

IUPAC2-[3-(3,4-dimethoxyphenyl)cyclopentyl]acetic acid
SMILESCOc1ccc(C2CCC(CC(=O)O)C2)cc1OC
InChIInChI=1S/C15H20O4/c1-18-13-6-5-12(9-14(13)19-2)11-4-3-10(7-11)8-15(16)17/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,16,17)
InChIKeyAMLVYOCLUCQXEN-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.06
Rot. Bonds5

About 2-[3-(3,4-dimethoxyphenyl)cyclopentyl]acetic acid

2-[3-(3,4-dimethoxyphenyl)cyclopentyl]acetic acid (PubChem CID 82303682) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[3-(3,4-dimethoxyphenyl)cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[3-(3,4-dimethoxyphenyl)cyclopentyl]acetic acid
PubChem CID82303682
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name2-[3-(3,4-dimethoxyphenyl)cyclopentyl]acetic acid
SMILESCOc1ccc(C2CCC(CC(=O)O)C2)cc1OC
InChIInChI=1S/C15H20O4/c1-18-13-6-5-12(9-14(13)19-2)11-4-3-10(7-11)8-15(16)17/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,16,17)
InChIKeyAMLVYOCLUCQXEN-UHFFFAOYSA-N
XLogP3.06
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[3-(3,4-dimethoxyphenyl)cyclopentyl]acetic acid with MolForge

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

Launch Full Analysis

Related Compounds

[3-(4-methoxy-3-methylphenyl)cyclopentyl]methyl carbamate
CID 143710477
azane;4-cyclopropyl-1,2-dimethoxybenzene
CID 23170558
2-[(3R)-3-(4-aminophenyl)cyclopentyl]acetic acid
CID 68683333
2-[(3S)-3-(4-aminophenyl)cyclopentyl]acetic acid
CID 68682784
2-[3-(4-methylphenyl)cyclohexyl]acetic acid
CID 3367209
2-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1-methoxycyclohexane-1-carboxylic acid
CID 19038585
2-[1-(3,4-dimethoxybenzoyl)azetidin-3-yl]acetic acid
CID 64604545
2-[1-[(3,4-dimethoxyphenyl)methyl]azetidin-3-yl]acetic acid
CID 64615889
cis-methyl (1S,2R)-2-(3,4-dimethoxyphenyl)cyclopropane-1-carboxylate
CID 125470953
2-[2-methoxy-5-(oxan-4-yl)phenyl]acetic acid
CID 117379181
[(1S,3R)-3-(4-methoxyphenyl)cyclopentyl]methyl carbamate
CID 143710570
2-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]acetic acid
CID 62689773

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4-dimethoxyphenyl)cyclopentyl]acetic acid?
The IUPAC name of 2-[3-(3,4-dimethoxyphenyl)cyclopentyl]acetic acid (CID 82303682) is 2-[3-(3,4-dimethoxyphenyl)cyclopentyl]acetic acid.
What is the SMILES notation for 2-[3-(3,4-dimethoxyphenyl)cyclopentyl]acetic acid?
The canonical SMILES for 2-[3-(3,4-dimethoxyphenyl)cyclopentyl]acetic acid is COc1ccc(C2CCC(CC(=O)O)C2)cc1OC.
What is the InChIKey of 2-[3-(3,4-dimethoxyphenyl)cyclopentyl]acetic acid?
The InChIKey is AMLVYOCLUCQXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-18-13-6-5-12(9-14(13)19-2)11-4-3-10(7-11)8-15(16)17/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,16,17).
What are the key properties of 2-[3-(3,4-dimethoxyphenyl)cyclopentyl]acetic acid?
2-[3-(3,4-dimethoxyphenyl)cyclopentyl]acetic acid has a molecular weight of 264.32 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,4-dimethoxyphenyl)cyclopentyl]acetic acid is sourced from PubChem (CID 82303682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).