3-(2-bromophenyl)cyclohexane-1-carboxylic acid

C13H15BrO2 — CID 115052012

IUPAC3-(2-bromophenyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(c2ccccc2Br)C1
InChIInChI=1S/C13H15BrO2/c14-12-7-2-1-6-11(12)9-4-3-5-10(8-9)13(15)16/h1-2,6-7,9-10H,3-5,8H2,(H,15,16)
InChIKeyHMBZXIFXJWGSET-UHFFFAOYSA-N
MW283.16 g/mol
LogP3.81
Rot. Bonds2

About 3-(2-bromophenyl)cyclohexane-1-carboxylic acid

3-(2-bromophenyl)cyclohexane-1-carboxylic acid (PubChem CID 115052012) has the molecular formula C13H15BrO2 and a molecular weight of 283.16 g/mol. Its IUPAC name is 3-(2-bromophenyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-(2-bromophenyl)cyclohexane-1-carboxylic acid
PubChem CID115052012
Molecular FormulaC13H15BrO2
Molecular Weight283.16 g/mol
Exact Mass282.03
IUPAC Name3-(2-bromophenyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(c2ccccc2Br)C1
InChIInChI=1S/C13H15BrO2/c14-12-7-2-1-6-11(12)9-4-3-5-10(8-9)13(15)16/h1-2,6-7,9-10H,3-5,8H2,(H,15,16)
InChIKeyHMBZXIFXJWGSET-UHFFFAOYSA-N
XLogP3.81
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(2-bromophenyl)cyclohexane-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

3-(2-methylphenyl)cyclopentane-1-carboxylic acid
CID 82282775
3-(benzenesulfonyl)cyclohexane-1-carboxylic acid
CID 115049970
3-[(3-bromo-2-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 103953226
cyclohexane-1,3-dicarboxylic acid;hydrochloride
CID 66831314
(1S,5R)-9-oxobicyclo[3.3.1]nonane-3-carboxylic acid
CID 826294
1-bromo-2-(3-fluorocyclobutyl)benzene
CID 115036967
1-(2-bromobenzoyl)-2-methylpiperidine-4-carboxylic acid
CID 106741861
2-chloro-1-[(1S,3R)-3-phenylcyclohexyl]ethanone
CID 164769658
(1R,2R,4R)-4-bromo-2-(2-bromophenyl)-5-oxocyclohexane-1-carboxylic acid
CID 69268161
3-[2-(2-bromophenyl)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 53436282
3-(dibenzylamino)cyclohexane-1-carboxylic acid
CID 71024282
(2R,3S)-3-(2-bromophenyl)pyrrolidine-2-carboxylic acid
CID 131873357

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 3-(2-bromophenyl)cyclohexane-1-carboxylic acid (CID 115052012) is 3-(2-bromophenyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-(2-bromophenyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-(2-bromophenyl)cyclohexane-1-carboxylic acid is O=C(O)C1CCCC(c2ccccc2Br)C1.
What is the InChIKey of 3-(2-bromophenyl)cyclohexane-1-carboxylic acid?
The InChIKey is HMBZXIFXJWGSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrO2/c14-12-7-2-1-6-11(12)9-4-3-5-10(8-9)13(15)16/h1-2,6-7,9-10H,3-5,8H2,(H,15,16).
What are the key properties of 3-(2-bromophenyl)cyclohexane-1-carboxylic acid?
3-(2-bromophenyl)cyclohexane-1-carboxylic acid has a molecular weight of 283.16 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 115052012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).