(2-bromo-6-fluorophenyl)-(4-methoxy-3-methylphenyl)methanone

C15H12BrFO2 — CID 114558708

IUPAC(2-bromo-6-fluorophenyl)-(4-methoxy-3-methylphenyl)methanone
SMILESCOc1ccc(C(=O)c2c(F)cccc2Br)cc1C
InChIInChI=1S/C15H12BrFO2/c1-9-8-10(6-7-13(9)19-2)15(18)14-11(16)4-3-5-12(14)17/h3-8H,1-2H3
InChIKeyOZBMBTUOMIVHTH-UHFFFAOYSA-N
MW323.16 g/mol
LogP4.14
Rot. Bonds3

About (2-bromo-6-fluorophenyl)-(4-methoxy-3-methylphenyl)methanone

(2-bromo-6-fluorophenyl)-(4-methoxy-3-methylphenyl)methanone (PubChem CID 114558708) has the molecular formula C15H12BrFO2 and a molecular weight of 323.16 g/mol. Its IUPAC name is (2-bromo-6-fluorophenyl)-(4-methoxy-3-methylphenyl)methanone.

Molecular Properties

Compound Name(2-bromo-6-fluorophenyl)-(4-methoxy-3-methylphenyl)methanone
PubChem CID114558708
Molecular FormulaC15H12BrFO2
Molecular Weight323.16 g/mol
Exact Mass322.00
IUPAC Name(2-bromo-6-fluorophenyl)-(4-methoxy-3-methylphenyl)methanone
SMILESCOc1ccc(C(=O)c2c(F)cccc2Br)cc1C
InChIInChI=1S/C15H12BrFO2/c1-9-8-10(6-7-13(9)19-2)15(18)14-11(16)4-3-5-12(14)17/h3-8H,1-2H3
InChIKeyOZBMBTUOMIVHTH-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-chloro-6-fluorophenyl)-(4-methoxy-3-methylphenyl)methanone
CID 43379564
(2-bromophenyl)-(4-methoxy-3-methylphenyl)methanone
CID 43379600
(4-fluoro-3,5-dimethylphenyl)-(2-fluoro-6-methoxyphenyl)methanone
CID 65433422
(4-fluoro-3-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanone
CID 81283370
(5-bromo-4-fluoro-2-methoxyphenyl)-(2-bromo-6-fluorophenyl)methanone
CID 103394058
(3-bromo-4-methoxyphenyl)-(2,6-difluoro-3-methylphenyl)methanone
CID 82814937
(3-chloro-4-methylphenyl)-(2-fluoro-6-methoxyphenyl)methanone
CID 113241963
(3-bromo-4-methoxyphenyl)-(2,3-difluorophenyl)methanone
CID 55101814
(2-bromo-6-fluorophenyl)-(4-fluorophenyl)methanone
CID 114558647
(2-chloro-6-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 43474062
(4-chloro-3-methoxyphenyl)-(2,6-difluorophenyl)methanone
CID 79697438
(4-bromo-3-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanone
CID 115797912

Frequently Asked Questions

What is the IUPAC name of (2-bromo-6-fluorophenyl)-(4-methoxy-3-methylphenyl)methanone?
The IUPAC name of (2-bromo-6-fluorophenyl)-(4-methoxy-3-methylphenyl)methanone (CID 114558708) is (2-bromo-6-fluorophenyl)-(4-methoxy-3-methylphenyl)methanone.
What is the SMILES notation for (2-bromo-6-fluorophenyl)-(4-methoxy-3-methylphenyl)methanone?
The canonical SMILES for (2-bromo-6-fluorophenyl)-(4-methoxy-3-methylphenyl)methanone is COc1ccc(C(=O)c2c(F)cccc2Br)cc1C.
What is the InChIKey of (2-bromo-6-fluorophenyl)-(4-methoxy-3-methylphenyl)methanone?
The InChIKey is OZBMBTUOMIVHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFO2/c1-9-8-10(6-7-13(9)19-2)15(18)14-11(16)4-3-5-12(14)17/h3-8H,1-2H3.
What are the key properties of (2-bromo-6-fluorophenyl)-(4-methoxy-3-methylphenyl)methanone?
(2-bromo-6-fluorophenyl)-(4-methoxy-3-methylphenyl)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 (2-bromo-6-fluorophenyl)-(4-methoxy-3-methylphenyl)methanone is sourced from PubChem (CID 114558708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).