(3-bromo-4-ethoxyphenyl)-(3-chloro-2-methylphenyl)methanone

C16H14BrClO2 — CID 107096226

IUPAC(3-bromo-4-ethoxyphenyl)-(3-chloro-2-methylphenyl)methanone
SMILESCCOc1ccc(C(=O)c2cccc(Cl)c2C)cc1Br
InChIInChI=1S/C16H14BrClO2/c1-3-20-15-8-7-11(9-13(15)17)16(19)12-5-4-6-14(18)10(12)2/h4-9H,3H2,1-2H3
InChIKeyGVJWZKDTEWQGNM-UHFFFAOYSA-N
MW353.64 g/mol
LogP5.04
Rot. Bonds4

About (3-bromo-4-ethoxyphenyl)-(3-chloro-2-methylphenyl)methanone

(3-bromo-4-ethoxyphenyl)-(3-chloro-2-methylphenyl)methanone (PubChem CID 107096226) has the molecular formula C16H14BrClO2 and a molecular weight of 353.64 g/mol. Its IUPAC name is (3-bromo-4-ethoxyphenyl)-(3-chloro-2-methylphenyl)methanone.

Molecular Properties

Compound Name(3-bromo-4-ethoxyphenyl)-(3-chloro-2-methylphenyl)methanone
PubChem CID107096226
Molecular FormulaC16H14BrClO2
Molecular Weight353.64 g/mol
Exact Mass351.99
IUPAC Name(3-bromo-4-ethoxyphenyl)-(3-chloro-2-methylphenyl)methanone
SMILESCCOc1ccc(C(=O)c2cccc(Cl)c2C)cc1Br
InChIInChI=1S/C16H14BrClO2/c1-3-20-15-8-7-11(9-13(15)17)16(19)12-5-4-6-14(18)10(12)2/h4-9H,3H2,1-2H3
InChIKeyGVJWZKDTEWQGNM-UHFFFAOYSA-N
XLogP5.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.64
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3-bromo-4-ethoxyphenyl)-(3-chloro-2-methylphenyl)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

(3-amino-2-methylphenyl)-(3-bromo-4-ethoxyphenyl)methanone
CID 104662561
(3-bromo-2-chlorophenyl)-(3-bromo-4-ethoxyphenyl)methanone
CID 104656941
(5-bromo-2-ethoxyphenyl)-(3-chloro-2-methylphenyl)methanone
CID 107096153
(3-bromo-4-ethoxyphenyl)-(2-bromo-3-fluorophenyl)methanone
CID 104656856
(3-chloro-2-methylphenyl)-(2-ethoxy-5-methylphenyl)methanone
CID 107096172
(3-bromophenyl)-(3-chloro-2-methylphenyl)methanone
CID 146005798
(3-bromo-4-ethoxyphenyl)-(4-chloro-2,5-difluorophenyl)methanone
CID 104656857
(3-bromo-4-ethoxyphenyl)-(2,5-dimethylphenyl)methanone
CID 104656758
(3-bromo-2-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanone
CID 104657103
(3-bromo-4-ethoxyphenyl)-(2-methylfuran-3-yl)methanone
CID 104656850
(3-bromo-4-ethoxyphenyl)-(3-fluorophenyl)methanone
CID 104656786
(3-bromo-4-ethoxyphenyl)-(3-iodophenyl)methanone
CID 113438012

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-ethoxyphenyl)-(3-chloro-2-methylphenyl)methanone?
The IUPAC name of (3-bromo-4-ethoxyphenyl)-(3-chloro-2-methylphenyl)methanone (CID 107096226) is (3-bromo-4-ethoxyphenyl)-(3-chloro-2-methylphenyl)methanone.
What is the SMILES notation for (3-bromo-4-ethoxyphenyl)-(3-chloro-2-methylphenyl)methanone?
The canonical SMILES for (3-bromo-4-ethoxyphenyl)-(3-chloro-2-methylphenyl)methanone is CCOc1ccc(C(=O)c2cccc(Cl)c2C)cc1Br.
What is the InChIKey of (3-bromo-4-ethoxyphenyl)-(3-chloro-2-methylphenyl)methanone?
The InChIKey is GVJWZKDTEWQGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClO2/c1-3-20-15-8-7-11(9-13(15)17)16(19)12-5-4-6-14(18)10(12)2/h4-9H,3H2,1-2H3.
What are the key properties of (3-bromo-4-ethoxyphenyl)-(3-chloro-2-methylphenyl)methanone?
(3-bromo-4-ethoxyphenyl)-(3-chloro-2-methylphenyl)methanone has a molecular weight of 353.64 g/mol, XLogP of 5.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-ethoxyphenyl)-(3-chloro-2-methylphenyl)methanone is sourced from PubChem (CID 107096226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).