(4-bromo-2,6-difluorophenyl)-(3,5-dimethoxyphenyl)methanone

C15H11BrF2O3 — CID 115785405

IUPAC(4-bromo-2,6-difluorophenyl)-(3,5-dimethoxyphenyl)methanone
SMILESCOc1cc(OC)cc(C(=O)c2c(F)cc(Br)cc2F)c1
InChIInChI=1S/C15H11BrF2O3/c1-20-10-3-8(4-11(7-10)21-2)15(19)14-12(17)5-9(16)6-13(14)18/h3-7H,1-2H3
InChIKeyDZZABCHPARMVDX-UHFFFAOYSA-N
MW357.15 g/mol
LogP3.98
Rot. Bonds4

About (4-bromo-2,6-difluorophenyl)-(3,5-dimethoxyphenyl)methanone

(4-bromo-2,6-difluorophenyl)-(3,5-dimethoxyphenyl)methanone (PubChem CID 115785405) has the molecular formula C15H11BrF2O3 and a molecular weight of 357.15 g/mol. Its IUPAC name is (4-bromo-2,6-difluorophenyl)-(3,5-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name(4-bromo-2,6-difluorophenyl)-(3,5-dimethoxyphenyl)methanone
PubChem CID115785405
Molecular FormulaC15H11BrF2O3
Molecular Weight357.15 g/mol
Exact Mass355.99
IUPAC Name(4-bromo-2,6-difluorophenyl)-(3,5-dimethoxyphenyl)methanone
SMILESCOc1cc(OC)cc(C(=O)c2c(F)cc(Br)cc2F)c1
InChIInChI=1S/C15H11BrF2O3/c1-20-10-3-8(4-11(7-10)21-2)15(19)14-12(17)5-9(16)6-13(14)18/h3-7H,1-2H3
InChIKeyDZZABCHPARMVDX-UHFFFAOYSA-N
XLogP3.98
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.15
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-bromo-2,6-difluorophenyl)-(3,5-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-5-methylphenyl)-(2,6-difluoro-4-methoxyphenyl)methanone
CID 104850995
(2,6-difluoro-4-methoxyphenyl)-(3,4,5-trifluorophenyl)methanone
CID 63187510
(3,5-dichlorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanone
CID 60965946
(2,6-difluoro-4-methoxyphenyl)-(4-methylphenyl)methanone
CID 54880508
(4-bromo-2,6-difluorophenyl)-(4-chloro-3-methoxyphenyl)methanone
CID 115781775
(3-bromo-5-methoxyphenyl)-phenylmethanone
CID 169228126
(4-bromo-2,6-difluorophenyl)-(3-methoxypyrazin-2-yl)methanone
CID 115797103
(2,5-dibromophenyl)-(3,5-dimethoxyphenyl)methanone
CID 115785475
(5-bromo-4-methylthiophen-2-yl)-(2,6-difluoro-4-methoxyphenyl)methanone
CID 79982235
(2,6-difluoro-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 102882225
(2,6-difluoro-4-methoxyphenyl)-(1H-pyrazol-4-yl)methanone
CID 114990495
3,5-dimethoxybenzoyl fluoride
CID 102051744

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,6-difluorophenyl)-(3,5-dimethoxyphenyl)methanone?
The IUPAC name of (4-bromo-2,6-difluorophenyl)-(3,5-dimethoxyphenyl)methanone (CID 115785405) is (4-bromo-2,6-difluorophenyl)-(3,5-dimethoxyphenyl)methanone.
What is the SMILES notation for (4-bromo-2,6-difluorophenyl)-(3,5-dimethoxyphenyl)methanone?
The canonical SMILES for (4-bromo-2,6-difluorophenyl)-(3,5-dimethoxyphenyl)methanone is COc1cc(OC)cc(C(=O)c2c(F)cc(Br)cc2F)c1.
What is the InChIKey of (4-bromo-2,6-difluorophenyl)-(3,5-dimethoxyphenyl)methanone?
The InChIKey is DZZABCHPARMVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrF2O3/c1-20-10-3-8(4-11(7-10)21-2)15(19)14-12(17)5-9(16)6-13(14)18/h3-7H,1-2H3.
What are the key properties of (4-bromo-2,6-difluorophenyl)-(3,5-dimethoxyphenyl)methanone?
(4-bromo-2,6-difluorophenyl)-(3,5-dimethoxyphenyl)methanone has a molecular weight of 357.15 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2,6-difluorophenyl)-(3,5-dimethoxyphenyl)methanone is sourced from PubChem (CID 115785405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).