4-(cyclopentylmethyl)-2-methoxybenzoic acid

C14H18O3 — CID 23021577

IUPAC4-(cyclopentylmethyl)-2-methoxybenzoic acid
SMILESCOc1cc(CC2CCCC2)ccc1C(=O)O
InChIInChI=1S/C14H18O3/c1-17-13-9-11(6-7-12(13)14(15)16)8-10-4-2-3-5-10/h6-7,9-10H,2-5,8H2,1H3,(H,15,16)
InChIKeySRIKVZDOFPQRRY-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.13
Rot. Bonds4

About 4-(cyclopentylmethyl)-2-methoxybenzoic acid

4-(cyclopentylmethyl)-2-methoxybenzoic acid (PubChem CID 23021577) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-(cyclopentylmethyl)-2-methoxybenzoic acid.

Molecular Properties

Compound Name4-(cyclopentylmethyl)-2-methoxybenzoic acid
PubChem CID23021577
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Name4-(cyclopentylmethyl)-2-methoxybenzoic acid
SMILESCOc1cc(CC2CCCC2)ccc1C(=O)O
InChIInChI=1S/C14H18O3/c1-17-13-9-11(6-7-12(13)14(15)16)8-10-4-2-3-5-10/h6-7,9-10H,2-5,8H2,1H3,(H,15,16)
InChIKeySRIKVZDOFPQRRY-UHFFFAOYSA-N
XLogP3.13
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(cyclopentylmethyl)-2-methoxybenzoic 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

5-(cyclohexylmethyl)-2-methoxybenzoic acid
CID 162393610
methyl 4-(cyclopropylmethyl)-2-methoxybenzoate
CID 172691889
4-[(cyclopentylamino)methyl]-2-methoxybenzoic acid
CID 117220016
4-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methoxybenzoic acid
CID 107402347
4-ethyl-2-methoxybenzoic acid
CID 18687349
4-[[[(1R,6R)-bicyclo[4.1.0]heptane-7-carbonyl]amino]methyl]-2-methoxybenzoic acid
CID 129414926
4-(cycloheptylmethyl)-2-(naphthalen-1-ylmethoxy)benzoic acid
CID 58521526
4-[(4,4-dimethylcyclohexyl)oxymethyl]-2-methoxybenzoic acid
CID 106794169
4-(cyclobutylmethyl)-2-(naphthalen-1-ylmethoxy)benzoic acid
CID 58521525
2-methoxy-4-[(2-propylpiperidin-1-yl)methyl]benzoic acid
CID 106793710
2-methoxy-4-(oxan-2-ylmethoxymethyl)benzoic acid
CID 106793954
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)-2-methoxybenzoic acid
CID 106793672

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylmethyl)-2-methoxybenzoic acid?
The IUPAC name of 4-(cyclopentylmethyl)-2-methoxybenzoic acid (CID 23021577) is 4-(cyclopentylmethyl)-2-methoxybenzoic acid.
What is the SMILES notation for 4-(cyclopentylmethyl)-2-methoxybenzoic acid?
The canonical SMILES for 4-(cyclopentylmethyl)-2-methoxybenzoic acid is COc1cc(CC2CCCC2)ccc1C(=O)O.
What is the InChIKey of 4-(cyclopentylmethyl)-2-methoxybenzoic acid?
The InChIKey is SRIKVZDOFPQRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-17-13-9-11(6-7-12(13)14(15)16)8-10-4-2-3-5-10/h6-7,9-10H,2-5,8H2,1H3,(H,15,16).
What are the key properties of 4-(cyclopentylmethyl)-2-methoxybenzoic acid?
4-(cyclopentylmethyl)-2-methoxybenzoic acid has a molecular weight of 234.30 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylmethyl)-2-methoxybenzoic acid is sourced from PubChem (CID 23021577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).