1-(3-bromophenyl)cyclobutane-1-carboxylic acid

C11H11BrO2 — CID 16769973

IUPAC1-(3-bromophenyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2cccc(Br)c2)CCC1
InChIInChI=1S/C11H11BrO2/c12-9-4-1-3-8(7-9)11(10(13)14)5-2-6-11/h1,3-4,7H,2,5-6H2,(H,13,14)
InChIKeyVCJRGYDROYTPHN-UHFFFAOYSA-N
MW255.11 g/mol
LogP2.96
Rot. Bonds2

About 1-(3-bromophenyl)cyclobutane-1-carboxylic acid

1-(3-bromophenyl)cyclobutane-1-carboxylic acid (PubChem CID 16769973) has the molecular formula C11H11BrO2 and a molecular weight of 255.11 g/mol. Its IUPAC name is 1-(3-bromophenyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-bromophenyl)cyclobutane-1-carboxylic acid
PubChem CID16769973
Molecular FormulaC11H11BrO2
Molecular Weight255.11 g/mol
Exact Mass253.99
IUPAC Name1-(3-bromophenyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2cccc(Br)c2)CCC1
InChIInChI=1S/C11H11BrO2/c12-9-4-1-3-8(7-9)11(10(13)14)5-2-6-11/h1,3-4,7H,2,5-6H2,(H,13,14)
InChIKeyVCJRGYDROYTPHN-UHFFFAOYSA-N
XLogP2.96
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(3-bromophenyl)cyclobutane-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

methyl 1-(3-bromophenyl)cyclobutane-1-carboxylate
CID 75487937
1-(3-bromophenyl)cyclohexane-1-carbohydrazide
CID 116844534
1-(3-bromophenyl)-3-hydroxycyclopentane-1-carboxylic acid
CID 115052218
1-(3-bromophenyl)cyclobutane-1-carbonyl azide
CID 86653441
1-(3-iodophenyl)cyclopentane-1-carboxylic acid
CID 117047003
1-[4-[(3-bromobenzoyl)amino]-3-chlorophenyl]cyclobutane-1-carboxylic acid
CID 137463559
4-(3-bromophenyl)bicyclo[2.2.2]octane-1-carboxylic acid
CID 59610207
1-(3-cyclopentylphenyl)cyclobutane-1-carboxylic acid
CID 117362913
N-benzyl-1-(3-bromophenyl)cyclopropane-1-carboxamide
CID 134034329
1-[4-[1-(3-bromophenyl)cyclopentanecarbonyl]piperazin-1-yl]ethanone
CID 39975229
2-[1-(3-bromophenyl)cyclopentyl]acetic acid
CID 68971554
1-[3-(diethylamino)phenyl]cyclobutane-1-carboxylic acid
CID 117371185

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(3-bromophenyl)cyclobutane-1-carboxylic acid (CID 16769973) is 1-(3-bromophenyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(3-bromophenyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(3-bromophenyl)cyclobutane-1-carboxylic acid is O=C(O)C1(c2cccc(Br)c2)CCC1.
What is the InChIKey of 1-(3-bromophenyl)cyclobutane-1-carboxylic acid?
The InChIKey is VCJRGYDROYTPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrO2/c12-9-4-1-3-8(7-9)11(10(13)14)5-2-6-11/h1,3-4,7H,2,5-6H2,(H,13,14).
What are the key properties of 1-(3-bromophenyl)cyclobutane-1-carboxylic acid?
1-(3-bromophenyl)cyclobutane-1-carboxylic acid has a molecular weight of 255.11 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 16769973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).