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

C15H12BrFO2 — CID 43629665

IUPAC(4-bromo-2-methylphenyl)-(5-fluoro-2-methoxyphenyl)methanone
SMILESCOc1ccc(F)cc1C(=O)c1ccc(Br)cc1C
InChIInChI=1S/C15H12BrFO2/c1-9-7-10(16)3-5-12(9)15(18)13-8-11(17)4-6-14(13)19-2/h3-8H,1-2H3
InChIKeyRBLHCWHXKUJXOE-UHFFFAOYSA-N
MW323.16 g/mol
LogP4.14
Rot. Bonds3

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

(4-bromo-2-methylphenyl)-(5-fluoro-2-methoxyphenyl)methanone (PubChem CID 43629665) has the molecular formula C15H12BrFO2 and a molecular weight of 323.16 g/mol. Its IUPAC name is (4-bromo-2-methylphenyl)-(5-fluoro-2-methoxyphenyl)methanone.

Molecular Properties

Compound Name(4-bromo-2-methylphenyl)-(5-fluoro-2-methoxyphenyl)methanone
PubChem CID43629665
Molecular FormulaC15H12BrFO2
Molecular Weight323.16 g/mol
Exact Mass322.00
IUPAC Name(4-bromo-2-methylphenyl)-(5-fluoro-2-methoxyphenyl)methanone
SMILESCOc1ccc(F)cc1C(=O)c1ccc(Br)cc1C
InChIInChI=1S/C15H12BrFO2/c1-9-7-10(16)3-5-12(9)15(18)13-8-11(17)4-6-14(13)19-2/h3-8H,1-2H3
InChIKeyRBLHCWHXKUJXOE-UHFFFAOYSA-N
XLogP4.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.16
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-4-fluorophenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43339651
(5-chloro-2-methoxyphenyl)-(4-fluoro-2-methylphenyl)methanone
CID 81274056
(5-fluoro-2-methoxyphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 63209421
(5-fluoro-2-methoxyphenyl)-(2,3,4-trifluorophenyl)methanone
CID 56980668
(2,5-difluorophenyl)-(2-methoxy-5-methylphenyl)methanone
CID 62504204
(2,4-dimethoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43339638
(5-chloro-2-methoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43339633
(2-bromo-5-fluorophenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 104544915
(5-fluoro-2-methoxyphenyl)-(4-hydroxyphenyl)methanone
CID 82086032
(5-bromo-2-methylphenyl)-(2,5-dimethoxyphenyl)methanone
CID 65306184
1-[2-(4-bromo-2-methylphenoxy)-5-fluorophenyl]ethanone
CID 63532818
(4-bromo-2-methylphenyl)-(3,5-difluorophenyl)methanone
CID 112694073

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methylphenyl)-(5-fluoro-2-methoxyphenyl)methanone?
The IUPAC name of (4-bromo-2-methylphenyl)-(5-fluoro-2-methoxyphenyl)methanone (CID 43629665) is (4-bromo-2-methylphenyl)-(5-fluoro-2-methoxyphenyl)methanone.
What is the SMILES notation for (4-bromo-2-methylphenyl)-(5-fluoro-2-methoxyphenyl)methanone?
The canonical SMILES for (4-bromo-2-methylphenyl)-(5-fluoro-2-methoxyphenyl)methanone is COc1ccc(F)cc1C(=O)c1ccc(Br)cc1C.
What is the InChIKey of (4-bromo-2-methylphenyl)-(5-fluoro-2-methoxyphenyl)methanone?
The InChIKey is RBLHCWHXKUJXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFO2/c1-9-7-10(16)3-5-12(9)15(18)13-8-11(17)4-6-14(13)19-2/h3-8H,1-2H3.
What are the key properties of (4-bromo-2-methylphenyl)-(5-fluoro-2-methoxyphenyl)methanone?
(4-bromo-2-methylphenyl)-(5-fluoro-2-methoxyphenyl)methanone has a molecular weight of 323.16 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-methylphenyl)-(5-fluoro-2-methoxyphenyl)methanone is sourced from PubChem (CID 43629665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).