[2-bromo-4-(bromomethyl)phenyl]-(2-methoxy-4-methylphenyl)methanone

C16H14Br2O2 — CID 134514613

IUPAC[2-bromo-4-(bromomethyl)phenyl]-(2-methoxy-4-methylphenyl)methanone
SMILESCOc1cc(C)ccc1C(=O)c1ccc(CBr)cc1Br
InChIInChI=1S/C16H14Br2O2/c1-10-3-5-13(15(7-10)20-2)16(19)12-6-4-11(9-17)8-14(12)18/h3-8H,9H2,1-2H3
InChIKeyZFACAIHYYOMZGU-UHFFFAOYSA-N
MW398.09 g/mol
LogP4.89
Rot. Bonds4

About [2-bromo-4-(bromomethyl)phenyl]-(2-methoxy-4-methylphenyl)methanone

[2-bromo-4-(bromomethyl)phenyl]-(2-methoxy-4-methylphenyl)methanone (PubChem CID 134514613) has the molecular formula C16H14Br2O2 and a molecular weight of 398.09 g/mol. Its IUPAC name is [2-bromo-4-(bromomethyl)phenyl]-(2-methoxy-4-methylphenyl)methanone.

Molecular Properties

Compound Name[2-bromo-4-(bromomethyl)phenyl]-(2-methoxy-4-methylphenyl)methanone
PubChem CID134514613
Molecular FormulaC16H14Br2O2
Molecular Weight398.09 g/mol
Exact Mass395.94
IUPAC Name[2-bromo-4-(bromomethyl)phenyl]-(2-methoxy-4-methylphenyl)methanone
SMILESCOc1cc(C)ccc1C(=O)c1ccc(CBr)cc1Br
InChIInChI=1S/C16H14Br2O2/c1-10-3-5-13(15(7-10)20-2)16(19)12-6-4-11(9-17)8-14(12)18/h3-8H,9H2,1-2H3
InChIKeyZFACAIHYYOMZGU-UHFFFAOYSA-N
XLogP4.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.09
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze [2-bromo-4-(bromomethyl)phenyl]-(2-methoxy-4-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

[2-bromo-4-(bromomethyl)phenyl]-(4-fluoro-2-hydroxy-5-methoxyphenyl)methanone
CID 134514577
(2-bromo-4-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone
CID 62505963
2-(3-bromo-4-fluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 106790005
(5-bromo-2-fluorophenyl)-(2-methoxy-4-methylphenyl)methanone
CID 106790410
4-[(2-bromo-4-methylphenoxy)methyl]-2-methoxybenzoic acid
CID 106794003
(2-bromo-4-methylphenyl)-[2-(trifluoromethoxy)phenyl]methanone
CID 114970319
(2-methoxy-4-methylphenyl)-(2-propoxyphenyl)methanone
CID 106790144
(4-amino-2-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone
CID 104784994
2-(3,5-dimethylphenyl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 106790381
[2-bromo-4-(bromomethyl)phenyl]-(2,4-dichlorophenyl)methanone
CID 146240510
(2-bromo-4-fluorophenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43339651
2-(3-bromophenyl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 106790334

Frequently Asked Questions

What is the IUPAC name of [2-bromo-4-(bromomethyl)phenyl]-(2-methoxy-4-methylphenyl)methanone?
The IUPAC name of [2-bromo-4-(bromomethyl)phenyl]-(2-methoxy-4-methylphenyl)methanone (CID 134514613) is [2-bromo-4-(bromomethyl)phenyl]-(2-methoxy-4-methylphenyl)methanone.
What is the SMILES notation for [2-bromo-4-(bromomethyl)phenyl]-(2-methoxy-4-methylphenyl)methanone?
The canonical SMILES for [2-bromo-4-(bromomethyl)phenyl]-(2-methoxy-4-methylphenyl)methanone is COc1cc(C)ccc1C(=O)c1ccc(CBr)cc1Br.
What is the InChIKey of [2-bromo-4-(bromomethyl)phenyl]-(2-methoxy-4-methylphenyl)methanone?
The InChIKey is ZFACAIHYYOMZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Br2O2/c1-10-3-5-13(15(7-10)20-2)16(19)12-6-4-11(9-17)8-14(12)18/h3-8H,9H2,1-2H3.
What are the key properties of [2-bromo-4-(bromomethyl)phenyl]-(2-methoxy-4-methylphenyl)methanone?
[2-bromo-4-(bromomethyl)phenyl]-(2-methoxy-4-methylphenyl)methanone has a molecular weight of 398.09 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-4-(bromomethyl)phenyl]-(2-methoxy-4-methylphenyl)methanone is sourced from PubChem (CID 134514613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).