1-[(4-bromophenyl)methyl]-3-methylcyclohexane-1-carboxylic acid

C15H19BrO2 — CID 65392622

IUPAC1-[(4-bromophenyl)methyl]-3-methylcyclohexane-1-carboxylic acid
SMILESCC1CCCC(Cc2ccc(Br)cc2)(C(=O)O)C1
InChIInChI=1S/C15H19BrO2/c1-11-3-2-8-15(9-11,14(17)18)10-12-4-6-13(16)7-5-12/h4-7,11H,2-3,8-10H2,1H3,(H,17,18)
InChIKeyFUJZLSHWTVQELG-UHFFFAOYSA-N
MW311.22 g/mol
LogP4.27
Rot. Bonds3

About 1-[(4-bromophenyl)methyl]-3-methylcyclohexane-1-carboxylic acid

1-[(4-bromophenyl)methyl]-3-methylcyclohexane-1-carboxylic acid (PubChem CID 65392622) has the molecular formula C15H19BrO2 and a molecular weight of 311.22 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-3-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-3-methylcyclohexane-1-carboxylic acid
PubChem CID65392622
Molecular FormulaC15H19BrO2
Molecular Weight311.22 g/mol
Exact Mass310.06
IUPAC Name1-[(4-bromophenyl)methyl]-3-methylcyclohexane-1-carboxylic acid
SMILESCC1CCCC(Cc2ccc(Br)cc2)(C(=O)O)C1
InChIInChI=1S/C15H19BrO2/c1-11-3-2-8-15(9-11,14(17)18)10-12-4-6-13(16)7-5-12/h4-7,11H,2-3,8-10H2,1H3,(H,17,18)
InChIKeyFUJZLSHWTVQELG-UHFFFAOYSA-N
XLogP4.27
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[(4-bromophenyl)methyl]-3-methylcyclohexane-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

1-[(3,4-dichlorophenyl)methyl]-3-methylcyclohexane-1-carboxylic acid
CID 65394071
1-[(2-bromo-4-fluorophenyl)methyl]-3-methylcyclohexane-1-carboxylic acid
CID 65393451
1-[(4-bromophenyl)methyl]-4-ethylcyclohexane-1-carboxylic acid
CID 65393284
1-[(4-bromophenyl)methyl]-4-propylcyclohexane-1-carboxylic acid
CID 65424126
3-methyl-1-(naphthalen-1-ylmethyl)cyclohexane-1-carboxylic acid
CID 65393655
3-methyl-1-(2-pyridin-4-ylethyl)cyclohexane-1-carboxylic acid
CID 79425636
1-[(5-bromo-2-fluorophenyl)methyl]-3-methylcyclopentane-1-carboxylic acid
CID 65400296
1-[(4-chlorophenyl)methyl]-3-ethylcyclohexane-1-carboxylic acid
CID 65402506
1-[(2-bromophenyl)methyl]-3-methylcyclopentane-1-carboxylic acid
CID 65402725
methyl 1-[(4-bromophenyl)methyl]cyclobutane-1-carboxylate
CID 116929677
1-[(4-ethylphenyl)methyl]cyclohexane-1-carboxylic acid
CID 62738855
1-[(4-bromophenyl)methyl]-4-methylcyclohexan-1-ol
CID 60798328

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-3-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(4-bromophenyl)methyl]-3-methylcyclohexane-1-carboxylic acid (CID 65392622) is 1-[(4-bromophenyl)methyl]-3-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-3-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-3-methylcyclohexane-1-carboxylic acid is CC1CCCC(Cc2ccc(Br)cc2)(C(=O)O)C1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-3-methylcyclohexane-1-carboxylic acid?
The InChIKey is FUJZLSHWTVQELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrO2/c1-11-3-2-8-15(9-11,14(17)18)10-12-4-6-13(16)7-5-12/h4-7,11H,2-3,8-10H2,1H3,(H,17,18).
What are the key properties of 1-[(4-bromophenyl)methyl]-3-methylcyclohexane-1-carboxylic acid?
1-[(4-bromophenyl)methyl]-3-methylcyclohexane-1-carboxylic acid has a molecular weight of 311.22 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-3-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 65392622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).