(3-bromo-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone

C15H12BrFO3 — CID 61033565

IUPAC(3-bromo-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(OC)c(Br)c2)c(F)c1
InChIInChI=1S/C15H12BrFO3/c1-19-10-4-5-11(13(17)8-10)15(18)9-3-6-14(20-2)12(16)7-9/h3-8H,1-2H3
InChIKeyDOPOZGORYREPIL-UHFFFAOYSA-N
MW339.16 g/mol
LogP3.84
Rot. Bonds4

About (3-bromo-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone

(3-bromo-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone (PubChem CID 61033565) has the molecular formula C15H12BrFO3 and a molecular weight of 339.16 g/mol. Its IUPAC name is (3-bromo-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(3-bromo-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone
PubChem CID61033565
Molecular FormulaC15H12BrFO3
Molecular Weight339.16 g/mol
Exact Mass338.00
IUPAC Name(3-bromo-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(OC)c(Br)c2)c(F)c1
InChIInChI=1S/C15H12BrFO3/c1-19-10-4-5-11(13(17)8-10)15(18)9-3-6-14(20-2)12(16)7-9/h3-8H,1-2H3
InChIKeyDOPOZGORYREPIL-UHFFFAOYSA-N
XLogP3.84
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.16
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-4-methoxyphenyl)-(2,4-difluorophenyl)methanone
CID 43339880
(3-bromo-4-methoxyphenyl)-(4-chloro-2-fluorophenyl)methanone
CID 43339851
(3,4-difluorophenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 43561111
(2-fluoro-4-methoxyphenyl)-(4-fluorophenyl)methanone
CID 22475212
(3-bromo-4-methoxyphenyl)-(2,3-difluoro-4-methylphenyl)methanone
CID 107512834
(2-fluoro-4-methoxyphenyl)-(4-methylphenyl)methanone
CID 43561161
(4-chlorophenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 22475222
(3-bromo-4-methoxyphenyl)-(2,3-difluorophenyl)methanone
CID 55101814
(4-bromo-2-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 43474023
(5-bromo-2-methoxy-4-methylphenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 102882282
(3-bromo-4-methoxyphenyl)-(3-methoxyphenyl)methanone
CID 43161767
(2-fluoro-4-methoxyphenyl)-(4-methylsulfanylphenyl)methanone
CID 79215178

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone?
The IUPAC name of (3-bromo-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone (CID 61033565) is (3-bromo-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone.
What is the SMILES notation for (3-bromo-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone?
The canonical SMILES for (3-bromo-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone is COc1ccc(C(=O)c2ccc(OC)c(Br)c2)c(F)c1.
What is the InChIKey of (3-bromo-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone?
The InChIKey is DOPOZGORYREPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFO3/c1-19-10-4-5-11(13(17)8-10)15(18)9-3-6-14(20-2)12(16)7-9/h3-8H,1-2H3.
What are the key properties of (3-bromo-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone?
(3-bromo-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone has a molecular weight of 339.16 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone is sourced from PubChem (CID 61033565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).