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

C11H11BrO2 — CID 83488507

IUPAC2-(3-bromophenyl)-3-methylcyclopropane-1-carboxylic acid
SMILESCC1C(C(=O)O)C1c1cccc(Br)c1
InChIInChI=1S/C11H11BrO2/c1-6-9(10(6)11(13)14)7-3-2-4-8(12)5-7/h2-6,9-10H,1H3,(H,13,14)
InChIKeyVFFFMLOGCLWPOH-UHFFFAOYSA-N
MW255.11 g/mol
LogP2.88
Rot. Bonds2

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

2-(3-bromophenyl)-3-methylcyclopropane-1-carboxylic acid (PubChem CID 83488507) has the molecular formula C11H11BrO2 and a molecular weight of 255.11 g/mol. Its IUPAC name is 2-(3-bromophenyl)-3-methylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(3-bromophenyl)-3-methylcyclopropane-1-carboxylic acid
PubChem CID83488507
Molecular FormulaC11H11BrO2
Molecular Weight255.11 g/mol
Exact Mass253.99
IUPAC Name2-(3-bromophenyl)-3-methylcyclopropane-1-carboxylic acid
SMILESCC1C(C(=O)O)C1c1cccc(Br)c1
InChIInChI=1S/C11H11BrO2/c1-6-9(10(6)11(13)14)7-3-2-4-8(12)5-7/h2-6,9-10H,1H3,(H,13,14)
InChIKeyVFFFMLOGCLWPOH-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(3-bromophenyl)-3-methylcyclopropane-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

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-3-methylcyclopropane-1-carboxylic acid?
The IUPAC name of 2-(3-bromophenyl)-3-methylcyclopropane-1-carboxylic acid (CID 83488507) is 2-(3-bromophenyl)-3-methylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(3-bromophenyl)-3-methylcyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(3-bromophenyl)-3-methylcyclopropane-1-carboxylic acid is CC1C(C(=O)O)C1c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-3-methylcyclopropane-1-carboxylic acid?
The InChIKey is VFFFMLOGCLWPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrO2/c1-6-9(10(6)11(13)14)7-3-2-4-8(12)5-7/h2-6,9-10H,1H3,(H,13,14).
What are the key properties of 2-(3-bromophenyl)-3-methylcyclopropane-1-carboxylic acid?
2-(3-bromophenyl)-3-methylcyclopropane-1-carboxylic acid has a molecular weight of 255.11 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-3-methylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 83488507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).