2-cyclopentyl-2-(2-methoxy-4,5-dimethylphenyl)acetic acid

C16H22O3 — CID 82485629

IUPAC2-cyclopentyl-2-(2-methoxy-4,5-dimethylphenyl)acetic acid
SMILESCOc1cc(C)c(C)cc1C(C(=O)O)C1CCCC1
InChIInChI=1S/C16H22O3/c1-10-8-13(14(19-3)9-11(10)2)15(16(17)18)12-6-4-5-7-12/h8-9,12,15H,4-7H2,1-3H3,(H,17,18)
InChIKeyAIERGFWNXCZBOJ-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.67
Rot. Bonds4

About 2-cyclopentyl-2-(2-methoxy-4,5-dimethylphenyl)acetic acid

2-cyclopentyl-2-(2-methoxy-4,5-dimethylphenyl)acetic acid (PubChem CID 82485629) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-cyclopentyl-2-(2-methoxy-4,5-dimethylphenyl)acetic acid.

Molecular Properties

Compound Name2-cyclopentyl-2-(2-methoxy-4,5-dimethylphenyl)acetic acid
PubChem CID82485629
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name2-cyclopentyl-2-(2-methoxy-4,5-dimethylphenyl)acetic acid
SMILESCOc1cc(C)c(C)cc1C(C(=O)O)C1CCCC1
InChIInChI=1S/C16H22O3/c1-10-8-13(14(19-3)9-11(10)2)15(16(17)18)12-6-4-5-7-12/h8-9,12,15H,4-7H2,1-3H3,(H,17,18)
InChIKeyAIERGFWNXCZBOJ-UHFFFAOYSA-N
XLogP3.67
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-cyclopentyl-2-(2-methoxy-4,5-dimethylphenyl)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

2-(5-chloro-2-methoxy-4-methylphenyl)-2-cyclopropylacetic acid
CID 82482100
2-cyclopropyl-2-(4-methoxy-2,3,5-trimethylphenyl)acetic acid
CID 82480271
2-(2-bromo-4,5-dimethoxyphenyl)-2-cyclopropylacetic acid
CID 175668604
2-cyclopropyl-2-(4-methoxy-2-methylphenyl)acetic acid
CID 175669177
2-(2-chloro-4-methoxyphenyl)-2-cyclopentylacetic acid
CID 82487741
1-(4-chloro-2,5-dimethoxyphenyl)-1-cyclohexylpropan-2-one
CID 68813134
2-cyclohexyl-2-(5-methoxy-2-methylpyrimidin-4-yl)acetic acid
CID 82666909
2-methoxy-2-(2-methoxy-4,5-dimethylphenyl)acetic acid
CID 83839387
2-cyclobutyl-2-(2-methylphenyl)acetic acid
CID 83687024
2-cyclopropyl-2-(3-hydroxy-4-methoxyphenyl)acetic acid
CID 83838639
2-cycloheptyl-2-(3,5-dimethylphenyl)acetic acid
CID 82932329
2-(2-bromo-5-methoxyphenyl)-2-cyclopropylacetic acid
CID 175669181

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-(2-methoxy-4,5-dimethylphenyl)acetic acid?
The IUPAC name of 2-cyclopentyl-2-(2-methoxy-4,5-dimethylphenyl)acetic acid (CID 82485629) is 2-cyclopentyl-2-(2-methoxy-4,5-dimethylphenyl)acetic acid.
What is the SMILES notation for 2-cyclopentyl-2-(2-methoxy-4,5-dimethylphenyl)acetic acid?
The canonical SMILES for 2-cyclopentyl-2-(2-methoxy-4,5-dimethylphenyl)acetic acid is COc1cc(C)c(C)cc1C(C(=O)O)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-2-(2-methoxy-4,5-dimethylphenyl)acetic acid?
The InChIKey is AIERGFWNXCZBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-10-8-13(14(19-3)9-11(10)2)15(16(17)18)12-6-4-5-7-12/h8-9,12,15H,4-7H2,1-3H3,(H,17,18).
What are the key properties of 2-cyclopentyl-2-(2-methoxy-4,5-dimethylphenyl)acetic acid?
2-cyclopentyl-2-(2-methoxy-4,5-dimethylphenyl)acetic acid has a molecular weight of 262.35 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-(2-methoxy-4,5-dimethylphenyl)acetic acid is sourced from PubChem (CID 82485629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).