3-[2-(2-bromophenyl)-2-oxoethyl]cyclopentane-1-carboxylic acid

C14H15BrO3 — CID 53436282

IUPAC3-[2-(2-bromophenyl)-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESO=C(CC1CCC(C(=O)O)C1)c1ccccc1Br
InChIInChI=1S/C14H15BrO3/c15-12-4-2-1-3-11(12)13(16)8-9-5-6-10(7-9)14(17)18/h1-4,9-10H,5-8H2,(H,17,18)
InChIKeyIZQLUQUCUBIXLN-UHFFFAOYSA-N
MW311.17 g/mol
LogP3.52
Rot. Bonds4

About 3-[2-(2-bromophenyl)-2-oxoethyl]cyclopentane-1-carboxylic acid

3-[2-(2-bromophenyl)-2-oxoethyl]cyclopentane-1-carboxylic acid (PubChem CID 53436282) has the molecular formula C14H15BrO3 and a molecular weight of 311.17 g/mol. Its IUPAC name is 3-[2-(2-bromophenyl)-2-oxoethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[2-(2-bromophenyl)-2-oxoethyl]cyclopentane-1-carboxylic acid
PubChem CID53436282
Molecular FormulaC14H15BrO3
Molecular Weight311.17 g/mol
Exact Mass310.02
IUPAC Name3-[2-(2-bromophenyl)-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESO=C(CC1CCC(C(=O)O)C1)c1ccccc1Br
InChIInChI=1S/C14H15BrO3/c15-12-4-2-1-3-11(12)13(16)8-9-5-6-10(7-9)14(17)18/h1-4,9-10H,5-8H2,(H,17,18)
InChIKeyIZQLUQUCUBIXLN-UHFFFAOYSA-N
XLogP3.52
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.17
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,3S)-3-phenacylcyclopentane-1-carboxylic acid
CID 24722332
3-[2-(2-chlorophenyl)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 53436283
3-phenacylcyclohexane-1-carboxylic acid
CID 53436258
cis-(1S,3R)-3-[2-(2-nitrophenyl)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 53471384
(1S)-3-(carboxymethyl)cyclopentane-1-carboxylic acid
CID 146210075
2-(2-bromobenzoyl)cyclopropane-1-carboxylic acid
CID 116918592
3-(anilinomethyl)cyclopentane-1-carboxylic acid
CID 105474187
1-(2-bromobenzoyl)-2-methylpiperidine-4-carboxylic acid
CID 106741861
1-(2-bromophenyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]ethanone
CID 2473535
1-(2-bromophenyl)-2-(2-cyclopropylethoxy)ethanone
CID 106203157
1-(2-bromophenyl)-2-[cyclopropylmethyl(methyl)amino]ethanone
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1-(2-bromophenyl)-2-(4-methylpiperidin-1-ium-1-yl)ethanone
CID 2392944

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-bromophenyl)-2-oxoethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[2-(2-bromophenyl)-2-oxoethyl]cyclopentane-1-carboxylic acid (CID 53436282) is 3-[2-(2-bromophenyl)-2-oxoethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[2-(2-bromophenyl)-2-oxoethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[2-(2-bromophenyl)-2-oxoethyl]cyclopentane-1-carboxylic acid is O=C(CC1CCC(C(=O)O)C1)c1ccccc1Br.
What is the InChIKey of 3-[2-(2-bromophenyl)-2-oxoethyl]cyclopentane-1-carboxylic acid?
The InChIKey is IZQLUQUCUBIXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrO3/c15-12-4-2-1-3-11(12)13(16)8-9-5-6-10(7-9)14(17)18/h1-4,9-10H,5-8H2,(H,17,18).
What are the key properties of 3-[2-(2-bromophenyl)-2-oxoethyl]cyclopentane-1-carboxylic acid?
3-[2-(2-bromophenyl)-2-oxoethyl]cyclopentane-1-carboxylic acid has a molecular weight of 311.17 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-bromophenyl)-2-oxoethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 53436282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).