(4-bromo-2,5-dimethoxyphenyl)-(4-fluoro-3-methylphenyl)methanone

C16H14BrFO3 — CID 105056482

IUPAC(4-bromo-2,5-dimethoxyphenyl)-(4-fluoro-3-methylphenyl)methanone
SMILESCOc1cc(C(=O)c2ccc(F)c(C)c2)c(OC)cc1Br
InChIInChI=1S/C16H14BrFO3/c1-9-6-10(4-5-13(9)18)16(19)11-7-15(21-3)12(17)8-14(11)20-2/h4-8H,1-3H3
InChIKeyIGZWRDDAHJOHQA-UHFFFAOYSA-N
MW353.19 g/mol
LogP4.14
Rot. Bonds4

About (4-bromo-2,5-dimethoxyphenyl)-(4-fluoro-3-methylphenyl)methanone

(4-bromo-2,5-dimethoxyphenyl)-(4-fluoro-3-methylphenyl)methanone (PubChem CID 105056482) has the molecular formula C16H14BrFO3 and a molecular weight of 353.19 g/mol. Its IUPAC name is (4-bromo-2,5-dimethoxyphenyl)-(4-fluoro-3-methylphenyl)methanone.

Molecular Properties

Compound Name(4-bromo-2,5-dimethoxyphenyl)-(4-fluoro-3-methylphenyl)methanone
PubChem CID105056482
Molecular FormulaC16H14BrFO3
Molecular Weight353.19 g/mol
Exact Mass352.01
IUPAC Name(4-bromo-2,5-dimethoxyphenyl)-(4-fluoro-3-methylphenyl)methanone
SMILESCOc1cc(C(=O)c2ccc(F)c(C)c2)c(OC)cc1Br
InChIInChI=1S/C16H14BrFO3/c1-9-6-10(4-5-13(9)18)16(19)11-7-15(21-3)12(17)8-14(11)20-2/h4-8H,1-3H3
InChIKeyIGZWRDDAHJOHQA-UHFFFAOYSA-N
XLogP4.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.19
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-bromo-2,5-dimethoxyphenyl)-(4-fluoro-3-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

(4,5-dimethoxy-2-methylphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 63209380
(4-bromo-2,5-dimethoxyphenyl)-(4-chloro-3-methylphenyl)methanone
CID 105056463
(5-fluoro-2-methoxyphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 63209421
(4-bromo-2,5-dimethoxyphenyl)-(3,5-difluorophenyl)methanone
CID 105056470
(2-bromo-4,5-dimethoxyphenyl)-(3,4-dimethylphenyl)methanone
CID 43161110
(4-bromo-2,5-dimethoxyphenyl)-(5-bromo-2-fluorophenyl)methanone
CID 105056411
(4-bromo-2,5-dimethoxyphenyl)-(3,4-dichlorophenyl)methanone
CID 105056345
(5-bromo-2-methoxy-4-methylphenyl)-(3,4-dimethylphenyl)methanone
CID 65439137
(3-bromo-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 43339859
(3-bromo-4-methoxyphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 81045034
(5-bromo-4-fluoro-2-methoxyphenyl)-(4-chlorophenyl)methanone
CID 103394161
(3-bromo-4-methoxyphenyl)-(2,3-difluoro-4-methylphenyl)methanone
CID 107512834

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,5-dimethoxyphenyl)-(4-fluoro-3-methylphenyl)methanone?
The IUPAC name of (4-bromo-2,5-dimethoxyphenyl)-(4-fluoro-3-methylphenyl)methanone (CID 105056482) is (4-bromo-2,5-dimethoxyphenyl)-(4-fluoro-3-methylphenyl)methanone.
What is the SMILES notation for (4-bromo-2,5-dimethoxyphenyl)-(4-fluoro-3-methylphenyl)methanone?
The canonical SMILES for (4-bromo-2,5-dimethoxyphenyl)-(4-fluoro-3-methylphenyl)methanone is COc1cc(C(=O)c2ccc(F)c(C)c2)c(OC)cc1Br.
What is the InChIKey of (4-bromo-2,5-dimethoxyphenyl)-(4-fluoro-3-methylphenyl)methanone?
The InChIKey is IGZWRDDAHJOHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFO3/c1-9-6-10(4-5-13(9)18)16(19)11-7-15(21-3)12(17)8-14(11)20-2/h4-8H,1-3H3.
What are the key properties of (4-bromo-2,5-dimethoxyphenyl)-(4-fluoro-3-methylphenyl)methanone?
(4-bromo-2,5-dimethoxyphenyl)-(4-fluoro-3-methylphenyl)methanone has a molecular weight of 353.19 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2,5-dimethoxyphenyl)-(4-fluoro-3-methylphenyl)methanone is sourced from PubChem (CID 105056482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).