2-(2,4-dimethoxybenzoyl)-4-methylcyclopentane-1-carboxylic acid

C16H20O5 — CID 114391792

IUPAC2-(2,4-dimethoxybenzoyl)-4-methylcyclopentane-1-carboxylic acid
SMILESCOc1ccc(C(=O)C2CC(C)CC2C(=O)O)c(OC)c1
InChIInChI=1S/C16H20O5/c1-9-6-12(13(7-9)16(18)19)15(17)11-5-4-10(20-2)8-14(11)21-3/h4-5,8-9,12-13H,6-7H2,1-3H3,(H,18,19)
InChIKeyBTYOIUAHGONQBQ-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.63
Rot. Bonds5

About 2-(2,4-dimethoxybenzoyl)-4-methylcyclopentane-1-carboxylic acid

2-(2,4-dimethoxybenzoyl)-4-methylcyclopentane-1-carboxylic acid (PubChem CID 114391792) has the molecular formula C16H20O5 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-(2,4-dimethoxybenzoyl)-4-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2,4-dimethoxybenzoyl)-4-methylcyclopentane-1-carboxylic acid
PubChem CID114391792
Molecular FormulaC16H20O5
Molecular Weight292.33 g/mol
Exact Mass292.13
IUPAC Name2-(2,4-dimethoxybenzoyl)-4-methylcyclopentane-1-carboxylic acid
SMILESCOc1ccc(C(=O)C2CC(C)CC2C(=O)O)c(OC)c1
InChIInChI=1S/C16H20O5/c1-9-6-12(13(7-9)16(18)19)15(17)11-5-4-10(20-2)8-14(11)21-3/h4-5,8-9,12-13H,6-7H2,1-3H3,(H,18,19)
InChIKeyBTYOIUAHGONQBQ-UHFFFAOYSA-N
XLogP2.63
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2,4-dimethoxybenzoyl)-4-methylcyclopentane-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

2-(2,5-dimethoxybenzoyl)cyclopropane-1-carboxylic acid
CID 116918493
(2,4-dimethoxyphenyl)-(2-phenylcyclopropyl)methanone
CID 114971202
2-(2-methoxy-5-methylbenzoyl)-4-methylcyclopentane-1-carboxylic acid
CID 114391912
2,4-dimethoxybenzoic acid
CID 7052
2,4-dimethoxybenzoic acid
CID 67450326
(2,4-dimethoxyphenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 789243
2-(2,4-dimethoxyphenyl)cyclobutane-1-carboxylic acid
CID 81008806
(2,4-dimethoxyphenyl)-(3-methyl-1,4-dithian-2-yl)methanone
CID 115385666
(2,4-dimethoxyphenyl)-(4,4-dimethylcyclohexyl)methanone
CID 65391983
2,3-dihydro-1H-inden-2-yl-(2,4-dimethoxyphenyl)methanone
CID 65406839
(4,4-difluorocyclohexyl)-(2,4-dimethoxyphenyl)methanone
CID 105097800
2-(2,4-dimethoxyanilino)cyclobutane-1-carboxylic acid
CID 103231889

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxybenzoyl)-4-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-(2,4-dimethoxybenzoyl)-4-methylcyclopentane-1-carboxylic acid (CID 114391792) is 2-(2,4-dimethoxybenzoyl)-4-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(2,4-dimethoxybenzoyl)-4-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(2,4-dimethoxybenzoyl)-4-methylcyclopentane-1-carboxylic acid is COc1ccc(C(=O)C2CC(C)CC2C(=O)O)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxybenzoyl)-4-methylcyclopentane-1-carboxylic acid?
The InChIKey is BTYOIUAHGONQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O5/c1-9-6-12(13(7-9)16(18)19)15(17)11-5-4-10(20-2)8-14(11)21-3/h4-5,8-9,12-13H,6-7H2,1-3H3,(H,18,19).
What are the key properties of 2-(2,4-dimethoxybenzoyl)-4-methylcyclopentane-1-carboxylic acid?
2-(2,4-dimethoxybenzoyl)-4-methylcyclopentane-1-carboxylic acid has a molecular weight of 292.33 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxybenzoyl)-4-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 114391792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).