(3-bromo-2-chlorophenyl)-(3-propylphenyl)methanone

C16H14BrClO — CID 115812265

IUPAC(3-bromo-2-chlorophenyl)-(3-propylphenyl)methanone
SMILESCCCc1cccc(C(=O)c2cccc(Br)c2Cl)c1
InChIInChI=1S/C16H14BrClO/c1-2-5-11-6-3-7-12(10-11)16(19)13-8-4-9-14(17)15(13)18/h3-4,6-10H,2,5H2,1H3
InChIKeyIKPGATBNYFADKL-UHFFFAOYSA-N
MW337.64 g/mol
LogP5.29
Rot. Bonds4

About (3-bromo-2-chlorophenyl)-(3-propylphenyl)methanone

(3-bromo-2-chlorophenyl)-(3-propylphenyl)methanone (PubChem CID 115812265) has the molecular formula C16H14BrClO and a molecular weight of 337.64 g/mol. Its IUPAC name is (3-bromo-2-chlorophenyl)-(3-propylphenyl)methanone.

Molecular Properties

Compound Name(3-bromo-2-chlorophenyl)-(3-propylphenyl)methanone
PubChem CID115812265
Molecular FormulaC16H14BrClO
Molecular Weight337.64 g/mol
Exact Mass335.99
IUPAC Name(3-bromo-2-chlorophenyl)-(3-propylphenyl)methanone
SMILESCCCc1cccc(C(=O)c2cccc(Br)c2Cl)c1
InChIInChI=1S/C16H14BrClO/c1-2-5-11-6-3-7-12(10-11)16(19)13-8-4-9-14(17)15(13)18/h3-4,6-10H,2,5H2,1H3
InChIKeyIKPGATBNYFADKL-UHFFFAOYSA-N
XLogP5.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.64
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3-bromo-2-chlorophenyl)-(3-propylphenyl)methanone 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

(2,4-dichlorophenyl)-(3-propylphenyl)methanone
CID 115812034
(2-chloro-4-fluorophenyl)-(3-propylphenyl)methanone
CID 116543192
(3-bromo-2-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanone
CID 104657103
(2-tert-butylphenyl)-(3-propylphenyl)methanone
CID 115812250
(3-bromo-2-chlorophenyl)-(3-bromo-4-ethoxyphenyl)methanone
CID 104656941
(4-amino-3,5-dichlorophenyl)-(3-propylphenyl)methanone
CID 116609874
(3-bromo-2-chlorophenyl)-(4-fluoro-3-methylphenyl)methanone
CID 113402904
(3-bromo-2-chlorophenyl)-(2-ethylphenyl)methanone
CID 141141548
(3,5-dimethylphenyl)-(3-propylphenyl)methanone
CID 115811990
(3-bromo-2-fluorophenyl)-(4-propylphenyl)methanone
CID 107949654
(3-bromo-2-chlorophenyl)-(3-cyclobutylphenyl)methanone
CID 115814752
[3-(dimethylamino)phenyl]-(3-propylphenyl)methanone
CID 105133978

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-chlorophenyl)-(3-propylphenyl)methanone?
The IUPAC name of (3-bromo-2-chlorophenyl)-(3-propylphenyl)methanone (CID 115812265) is (3-bromo-2-chlorophenyl)-(3-propylphenyl)methanone.
What is the SMILES notation for (3-bromo-2-chlorophenyl)-(3-propylphenyl)methanone?
The canonical SMILES for (3-bromo-2-chlorophenyl)-(3-propylphenyl)methanone is CCCc1cccc(C(=O)c2cccc(Br)c2Cl)c1.
What is the InChIKey of (3-bromo-2-chlorophenyl)-(3-propylphenyl)methanone?
The InChIKey is IKPGATBNYFADKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClO/c1-2-5-11-6-3-7-12(10-11)16(19)13-8-4-9-14(17)15(13)18/h3-4,6-10H,2,5H2,1H3.
What are the key properties of (3-bromo-2-chlorophenyl)-(3-propylphenyl)methanone?
(3-bromo-2-chlorophenyl)-(3-propylphenyl)methanone has a molecular weight of 337.64 g/mol, XLogP of 5.29, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-chlorophenyl)-(3-propylphenyl)methanone is sourced from PubChem (CID 115812265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).