3-[4-(4-chlorophenyl)benzoyl]cyclopentane-1-carboxylic acid

C19H17ClO3 — CID 57168194

IUPAC3-[4-(4-chlorophenyl)benzoyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)c2ccc(-c3ccc(Cl)cc3)cc2)C1
InChIInChI=1S/C19H17ClO3/c20-17-9-7-13(8-10-17)12-1-3-14(4-2-12)18(21)15-5-6-16(11-15)19(22)23/h1-4,7-10,15-16H,5-6,11H2,(H,22,23)
InChIKeyGDXMJQKSPAQHDJ-UHFFFAOYSA-N
MW328.80 g/mol
LogP4.69
Rot. Bonds4

About 3-[4-(4-chlorophenyl)benzoyl]cyclopentane-1-carboxylic acid

3-[4-(4-chlorophenyl)benzoyl]cyclopentane-1-carboxylic acid (PubChem CID 57168194) has the molecular formula C19H17ClO3 and a molecular weight of 328.80 g/mol. Its IUPAC name is 3-[4-(4-chlorophenyl)benzoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[4-(4-chlorophenyl)benzoyl]cyclopentane-1-carboxylic acid
PubChem CID57168194
Molecular FormulaC19H17ClO3
Molecular Weight328.80 g/mol
Exact Mass328.09
IUPAC Name3-[4-(4-chlorophenyl)benzoyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)c2ccc(-c3ccc(Cl)cc3)cc2)C1
InChIInChI=1S/C19H17ClO3/c20-17-9-7-13(8-10-17)12-1-3-14(4-2-12)18(21)15-5-6-16(11-15)19(22)23/h1-4,7-10,15-16H,5-6,11H2,(H,22,23)
InChIKeyGDXMJQKSPAQHDJ-UHFFFAOYSA-N
XLogP4.69
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(4-chlorophenyl)phenyl]-cyclopropylmethanone
CID 39358836
3-(4-fluorobenzoyl)cyclopentane-1-carboxylic acid
CID 53436277
2-[4-(4-chlorophenyl)benzoyl]cyclopentane-1-carboxylic acid
CID 54395284
carbonic acid;[4-(4-chlorophenyl)phenyl]-[(1S,3R)-3-phenylsulfanylcyclopentyl]methanone
CID 70150180
3-(4-fluorobenzoyl)cyclohexane-1-carboxylic acid
CID 53436276
2-(4-chlorobenzoyl)cyclopentane-1-carboxylic acid
CID 53411598
(3-aminocyclobutyl)-(4-chlorophenyl)methanone
CID 116917659
5-[4-(4-chlorophenyl)benzoyl]cyclopentene-1-carboxylic acid
CID 15391089
[4-(4-iodophenyl)phenyl]-(3-methylcyclopentyl)methanone
CID 142053699
3-(4-butan-2-ylbenzoyl)cyclopentane-1-carboxylic acid
CID 103551694
4-(4-carboxycyclohexanecarbonyl)benzoic acid
CID 71338600
3-(5-chloro-2-methoxybenzoyl)cyclopentane-1-carboxylic acid
CID 103551811

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chlorophenyl)benzoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[4-(4-chlorophenyl)benzoyl]cyclopentane-1-carboxylic acid (CID 57168194) is 3-[4-(4-chlorophenyl)benzoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[4-(4-chlorophenyl)benzoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[4-(4-chlorophenyl)benzoyl]cyclopentane-1-carboxylic acid is O=C(O)C1CCC(C(=O)c2ccc(-c3ccc(Cl)cc3)cc2)C1.
What is the InChIKey of 3-[4-(4-chlorophenyl)benzoyl]cyclopentane-1-carboxylic acid?
The InChIKey is GDXMJQKSPAQHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClO3/c20-17-9-7-13(8-10-17)12-1-3-14(4-2-12)18(21)15-5-6-16(11-15)19(22)23/h1-4,7-10,15-16H,5-6,11H2,(H,22,23).
What are the key properties of 3-[4-(4-chlorophenyl)benzoyl]cyclopentane-1-carboxylic acid?
3-[4-(4-chlorophenyl)benzoyl]cyclopentane-1-carboxylic acid has a molecular weight of 328.80 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-chlorophenyl)benzoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 57168194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).