(4-bromo-3-methylphenyl)-(2,4-dimethoxyphenyl)methanone

C16H15BrO3 — CID 114971196

IUPAC(4-bromo-3-methylphenyl)-(2,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(Br)c(C)c2)c(OC)c1
InChIInChI=1S/C16H15BrO3/c1-10-8-11(4-7-14(10)17)16(18)13-6-5-12(19-2)9-15(13)20-3/h4-9H,1-3H3
InChIKeyHENYCNRSQLOLRX-UHFFFAOYSA-N
MW335.20 g/mol
LogP4.01
Rot. Bonds4

About (4-bromo-3-methylphenyl)-(2,4-dimethoxyphenyl)methanone

(4-bromo-3-methylphenyl)-(2,4-dimethoxyphenyl)methanone (PubChem CID 114971196) has the molecular formula C16H15BrO3 and a molecular weight of 335.20 g/mol. Its IUPAC name is (4-bromo-3-methylphenyl)-(2,4-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name(4-bromo-3-methylphenyl)-(2,4-dimethoxyphenyl)methanone
PubChem CID114971196
Molecular FormulaC16H15BrO3
Molecular Weight335.20 g/mol
Exact Mass334.02
IUPAC Name(4-bromo-3-methylphenyl)-(2,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(Br)c(C)c2)c(OC)c1
InChIInChI=1S/C16H15BrO3/c1-10-8-11(4-7-14(10)17)16(18)13-6-5-12(19-2)9-15(13)20-3/h4-9H,1-3H3
InChIKeyHENYCNRSQLOLRX-UHFFFAOYSA-N
XLogP4.01
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-bromo-3-methylphenyl)-(2,4-dimethoxyphenyl)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-bromo-4-chlorophenyl)-(2,4-dimethoxyphenyl)methanone
CID 115565794
(5-bromo-2-methoxy-4-methylphenyl)-(3,4-dimethylphenyl)methanone
CID 65439137
(2-bromo-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanone
CID 63492340
(2,4-dimethoxyphenyl)-(4-methylsulfanylphenyl)methanone
CID 112694184
(2,4-dimethoxyphenyl)-[4-(dimethylamino)phenyl]methanone
CID 3243415
(4-bromo-3-methylphenyl)-(2,4-dimethylphenyl)methanone
CID 113396668
(3,5-dimethoxyphenyl)-(4-methoxy-2-methylphenyl)methanone
CID 114965510
(3-bromo-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 61033565
(2-bromo-4,5-dimethoxyphenyl)-(3,4-dimethylphenyl)methanone
CID 43161110
(2-bromo-4-methoxyphenyl)-(4-bromophenyl)methanone
CID 60786107
(5-bromo-2-methoxy-4-methylphenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 102882282
(2-bromophenyl)-(4-methoxy-3-methylphenyl)methanone
CID 43379600

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-methylphenyl)-(2,4-dimethoxyphenyl)methanone?
The IUPAC name of (4-bromo-3-methylphenyl)-(2,4-dimethoxyphenyl)methanone (CID 114971196) is (4-bromo-3-methylphenyl)-(2,4-dimethoxyphenyl)methanone.
What is the SMILES notation for (4-bromo-3-methylphenyl)-(2,4-dimethoxyphenyl)methanone?
The canonical SMILES for (4-bromo-3-methylphenyl)-(2,4-dimethoxyphenyl)methanone is COc1ccc(C(=O)c2ccc(Br)c(C)c2)c(OC)c1.
What is the InChIKey of (4-bromo-3-methylphenyl)-(2,4-dimethoxyphenyl)methanone?
The InChIKey is HENYCNRSQLOLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO3/c1-10-8-11(4-7-14(10)17)16(18)13-6-5-12(19-2)9-15(13)20-3/h4-9H,1-3H3.
What are the key properties of (4-bromo-3-methylphenyl)-(2,4-dimethoxyphenyl)methanone?
(4-bromo-3-methylphenyl)-(2,4-dimethoxyphenyl)methanone has a molecular weight of 335.20 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-methylphenyl)-(2,4-dimethoxyphenyl)methanone is sourced from PubChem (CID 114971196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).