1-[(3-ethyl-4-methoxyphenyl)methyl]cyclopentane-1-carboxylic acid

C16H22O3 — CID 82090827

IUPAC1-[(3-ethyl-4-methoxyphenyl)methyl]cyclopentane-1-carboxylic acid
SMILESCCc1cc(CC2(C(=O)O)CCCC2)ccc1OC
InChIInChI=1S/C16H22O3/c1-3-13-10-12(6-7-14(13)19-2)11-16(15(17)18)8-4-5-9-16/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,17,18)
InChIKeyCIDZXCLGQVBIAK-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.45
Rot. Bonds5

About 1-[(3-ethyl-4-methoxyphenyl)methyl]cyclopentane-1-carboxylic acid

1-[(3-ethyl-4-methoxyphenyl)methyl]cyclopentane-1-carboxylic acid (PubChem CID 82090827) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[(3-ethyl-4-methoxyphenyl)methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-ethyl-4-methoxyphenyl)methyl]cyclopentane-1-carboxylic acid
PubChem CID82090827
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name1-[(3-ethyl-4-methoxyphenyl)methyl]cyclopentane-1-carboxylic acid
SMILESCCc1cc(CC2(C(=O)O)CCCC2)ccc1OC
InChIInChI=1S/C16H22O3/c1-3-13-10-12(6-7-14(13)19-2)11-16(15(17)18)8-4-5-9-16/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,17,18)
InChIKeyCIDZXCLGQVBIAK-UHFFFAOYSA-N
XLogP3.45
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(3-ethyl-4-methoxyphenyl)methyl]cyclopentane-1-carboxylic 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

methyl 1-[(3-ethyl-4-methoxyphenyl)methyl]cyclobutane-1-carboxylate
CID 116929708
1-[(3,4-dimethoxyphenyl)methyl]cyclobutane-1-carboxylic acid
CID 79424763
1-[(2-methoxy-5-methylphenyl)methyl]cyclooctane-1-carboxylic acid
CID 80609485
1-[[(3-ethyl-4-methoxyphenyl)methylamino]methyl]cyclopropane-1-carboxylic acid
CID 115242923
1-[(4-ethylphenyl)methyl]cyclohexane-1-carboxylic acid
CID 62738855
1-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxylic acid
CID 22660130
1-[1-[(5-ethyl-2-methoxyphenyl)methyl]cyclopropyl]ethanone
CID 95448950
1-[(3-methoxyphenyl)methyl]cyclooctane-1-carboxylic acid
CID 80611133
1-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)cyclopentane-1-carboxylic acid
CID 82300658
1-[(3-bromo-4-methoxyphenyl)methyl]-3-ethylcyclohexane-1-carboxylic acid
CID 65403118
1-[(3,4,5-trimethoxyphenyl)methyl]cyclopropane-1-carboxylic acid
CID 94277738
1-[(4,5-dimethoxy-2-methylphenyl)methyl]cyclobutane-1-carboxylic acid
CID 116929511

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethyl-4-methoxyphenyl)methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(3-ethyl-4-methoxyphenyl)methyl]cyclopentane-1-carboxylic acid (CID 82090827) is 1-[(3-ethyl-4-methoxyphenyl)methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-ethyl-4-methoxyphenyl)methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(3-ethyl-4-methoxyphenyl)methyl]cyclopentane-1-carboxylic acid is CCc1cc(CC2(C(=O)O)CCCC2)ccc1OC.
What is the InChIKey of 1-[(3-ethyl-4-methoxyphenyl)methyl]cyclopentane-1-carboxylic acid?
The InChIKey is CIDZXCLGQVBIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-3-13-10-12(6-7-14(13)19-2)11-16(15(17)18)8-4-5-9-16/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,17,18).
What are the key properties of 1-[(3-ethyl-4-methoxyphenyl)methyl]cyclopentane-1-carboxylic acid?
1-[(3-ethyl-4-methoxyphenyl)methyl]cyclopentane-1-carboxylic acid has a molecular weight of 262.35 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethyl-4-methoxyphenyl)methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 82090827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).