(3-bromo-4-methoxyphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone

C15H11BrClFO2 — CID 81045034

IUPAC(3-bromo-4-methoxyphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
SMILESCOc1ccc(C(=O)c2cc(C)c(F)cc2Cl)cc1Br
InChIInChI=1S/C15H11BrClFO2/c1-8-5-10(12(17)7-13(8)18)15(19)9-3-4-14(20-2)11(16)6-9/h3-7H,1-2H3
InChIKeyBIKTYUUMZKPGPB-UHFFFAOYSA-N
MW357.61 g/mol
LogP4.79
Rot. Bonds3

About (3-bromo-4-methoxyphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone

(3-bromo-4-methoxyphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone (PubChem CID 81045034) has the molecular formula C15H11BrClFO2 and a molecular weight of 357.61 g/mol. Its IUPAC name is (3-bromo-4-methoxyphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone.

Molecular Properties

Compound Name(3-bromo-4-methoxyphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
PubChem CID81045034
Molecular FormulaC15H11BrClFO2
Molecular Weight357.61 g/mol
Exact Mass355.96
IUPAC Name(3-bromo-4-methoxyphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
SMILESCOc1ccc(C(=O)c2cc(C)c(F)cc2Cl)cc1Br
InChIInChI=1S/C15H11BrClFO2/c1-8-5-10(12(17)7-13(8)18)15(19)9-3-4-14(20-2)11(16)6-9/h3-7H,1-2H3
InChIKeyBIKTYUUMZKPGPB-UHFFFAOYSA-N
XLogP4.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.61
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-4-fluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 114019742
(4-amino-3-methoxyphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 104785073
(3-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanone
CID 107949762
(3-bromo-4-methoxyphenyl)-(4-chloro-2-fluorophenyl)methanone
CID 43339851
(3-bromo-4-methoxyphenyl)-(2,3-difluoro-4-methylphenyl)methanone
CID 107512834
(3-bromo-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 43339859
(4-chloro-3-methoxyphenyl)-(2,4-difluoro-5-methylphenyl)methanone
CID 115781836
(2-chloro-4-fluoro-5-methylphenyl)-(2,6-dimethoxyphenyl)methanone
CID 81047587
(4-bromo-2-chlorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 43805127
(3-bromo-4-methoxyphenyl)-(2,6-difluoro-3-methylphenyl)methanone
CID 82814937
(2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-2-methoxyphenyl)methanone
CID 81045720
(3-bromo-4-methoxyphenyl)-(2,4-difluorophenyl)methanone
CID 43339880

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methoxyphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone?
The IUPAC name of (3-bromo-4-methoxyphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone (CID 81045034) is (3-bromo-4-methoxyphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone.
What is the SMILES notation for (3-bromo-4-methoxyphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone?
The canonical SMILES for (3-bromo-4-methoxyphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone is COc1ccc(C(=O)c2cc(C)c(F)cc2Cl)cc1Br.
What is the InChIKey of (3-bromo-4-methoxyphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone?
The InChIKey is BIKTYUUMZKPGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClFO2/c1-8-5-10(12(17)7-13(8)18)15(19)9-3-4-14(20-2)11(16)6-9/h3-7H,1-2H3.
What are the key properties of (3-bromo-4-methoxyphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone?
(3-bromo-4-methoxyphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone has a molecular weight of 357.61 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-methoxyphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone is sourced from PubChem (CID 81045034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).