2-(2-methoxybenzoyl)cyclopentane-1-carboxylic acid

C14H16O4 — CID 53411585

IUPAC2-(2-methoxybenzoyl)cyclopentane-1-carboxylic acid
SMILESCOc1ccccc1C(=O)C1CCCC1C(=O)O
InChIInChI=1S/C14H16O4/c1-18-12-8-3-2-5-11(12)13(15)9-6-4-7-10(9)14(16)17/h2-3,5,8-10H,4,6-7H2,1H3,(H,16,17)
InChIKeyMEKBVCIQBYRCMJ-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.38
Rot. Bonds4

About 2-(2-methoxybenzoyl)cyclopentane-1-carboxylic acid

2-(2-methoxybenzoyl)cyclopentane-1-carboxylic acid (PubChem CID 53411585) has the molecular formula C14H16O4 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-(2-methoxybenzoyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-methoxybenzoyl)cyclopentane-1-carboxylic acid
PubChem CID53411585
Molecular FormulaC14H16O4
Molecular Weight248.28 g/mol
Exact Mass248.10
IUPAC Name2-(2-methoxybenzoyl)cyclopentane-1-carboxylic acid
SMILESCOc1ccccc1C(=O)C1CCCC1C(=O)O
InChIInChI=1S/C14H16O4/c1-18-12-8-3-2-5-11(12)13(15)9-6-4-7-10(9)14(16)17/h2-3,5,8-10H,4,6-7H2,1H3,(H,16,17)
InChIKeyMEKBVCIQBYRCMJ-UHFFFAOYSA-N
XLogP2.38
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methoxyphenyl)-(2-methylcyclobutyl)methanone
CID 71020472
cis-(1R,2S)-2-(2-methylbenzoyl)cyclopentane-1-carboxylic acid
CID 24722312
6-bicyclo[3.1.0]hexanyl-(2-methoxyphenyl)methanone
CID 114962813
cis-(1R,2S)-2-(2-methylbenzoyl)cyclohexane-1-carboxylic acid
CID 24722414
cyclooctyl-(2-methoxyphenyl)methanone
CID 80602820
cis-(1S,2R)-2-(2,3-dimethylbenzoyl)cyclopentane-1-carboxylic acid
CID 90476274
trans-(1R,2R)-2-[[2-[(2-methoxyphenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 982063
2-[(2-methoxyphenyl)methyl-methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103977987
2-(1-methylindole-3-carbonyl)cyclopentane-1-carboxylic acid
CID 114391841
(2-methoxyphenyl)-piperidin-4-ylmethanone
CID 20613843
methyl 4-(2-methoxybenzoyl)cyclohexane-1-carboxylate
CID 67302137
2-[2-(2-methoxyphenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 106259952

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxybenzoyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(2-methoxybenzoyl)cyclopentane-1-carboxylic acid (CID 53411585) is 2-(2-methoxybenzoyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(2-methoxybenzoyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(2-methoxybenzoyl)cyclopentane-1-carboxylic acid is COc1ccccc1C(=O)C1CCCC1C(=O)O.
What is the InChIKey of 2-(2-methoxybenzoyl)cyclopentane-1-carboxylic acid?
The InChIKey is MEKBVCIQBYRCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O4/c1-18-12-8-3-2-5-11(12)13(15)9-6-4-7-10(9)14(16)17/h2-3,5,8-10H,4,6-7H2,1H3,(H,16,17).
What are the key properties of 2-(2-methoxybenzoyl)cyclopentane-1-carboxylic acid?
2-(2-methoxybenzoyl)cyclopentane-1-carboxylic acid has a molecular weight of 248.28 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxybenzoyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 53411585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).