(4-bromophenyl)-[2-(4-methylphenyl)cyclopropyl]methanone

C17H15BrO — CID 73098803

IUPAC(4-bromophenyl)-[2-(4-methylphenyl)cyclopropyl]methanone
SMILESCc1ccc(C2CC2C(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C17H15BrO/c1-11-2-4-12(5-3-11)15-10-16(15)17(19)13-6-8-14(18)9-7-13/h2-9,15-16H,10H2,1H3
InChIKeyKNNKQQWAJXYDDD-UHFFFAOYSA-N
MW315.21 g/mol
LogP4.74
Rot. Bonds3

About (4-bromophenyl)-[2-(4-methylphenyl)cyclopropyl]methanone

(4-bromophenyl)-[2-(4-methylphenyl)cyclopropyl]methanone (PubChem CID 73098803) has the molecular formula C17H15BrO and a molecular weight of 315.21 g/mol. Its IUPAC name is (4-bromophenyl)-[2-(4-methylphenyl)cyclopropyl]methanone.

Molecular Properties

Compound Name(4-bromophenyl)-[2-(4-methylphenyl)cyclopropyl]methanone
PubChem CID73098803
Molecular FormulaC17H15BrO
Molecular Weight315.21 g/mol
Exact Mass314.03
IUPAC Name(4-bromophenyl)-[2-(4-methylphenyl)cyclopropyl]methanone
SMILESCc1ccc(C2CC2C(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C17H15BrO/c1-11-2-4-12(5-3-11)15-10-16(15)17(19)13-6-8-14(18)9-7-13/h2-9,15-16H,10H2,1H3
InChIKeyKNNKQQWAJXYDDD-UHFFFAOYSA-N
XLogP4.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (4-bromophenyl)-[2-(4-methylphenyl)cyclopropyl]methanone 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 (4-bromophenyl)-[2-(4-methylphenyl)cyclopropyl]methanone?
The IUPAC name of (4-bromophenyl)-[2-(4-methylphenyl)cyclopropyl]methanone (CID 73098803) is (4-bromophenyl)-[2-(4-methylphenyl)cyclopropyl]methanone.
What is the SMILES notation for (4-bromophenyl)-[2-(4-methylphenyl)cyclopropyl]methanone?
The canonical SMILES for (4-bromophenyl)-[2-(4-methylphenyl)cyclopropyl]methanone is Cc1ccc(C2CC2C(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of (4-bromophenyl)-[2-(4-methylphenyl)cyclopropyl]methanone?
The InChIKey is KNNKQQWAJXYDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrO/c1-11-2-4-12(5-3-11)15-10-16(15)17(19)13-6-8-14(18)9-7-13/h2-9,15-16H,10H2,1H3.
What are the key properties of (4-bromophenyl)-[2-(4-methylphenyl)cyclopropyl]methanone?
(4-bromophenyl)-[2-(4-methylphenyl)cyclopropyl]methanone has a molecular weight of 315.21 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-[2-(4-methylphenyl)cyclopropyl]methanone is sourced from PubChem (CID 73098803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).