(3-bromo-4-methoxyphenyl)-(2,4-difluorophenyl)methanone

C14H9BrF2O2 — CID 43339880

IUPAC(3-bromo-4-methoxyphenyl)-(2,4-difluorophenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(F)cc2F)cc1Br
InChIInChI=1S/C14H9BrF2O2/c1-19-13-5-2-8(6-11(13)15)14(18)10-4-3-9(16)7-12(10)17/h2-7H,1H3
InChIKeyGZZUSQCDTVUGNF-UHFFFAOYSA-N
MW327.12 g/mol
LogP3.97
Rot. Bonds3

About (3-bromo-4-methoxyphenyl)-(2,4-difluorophenyl)methanone

(3-bromo-4-methoxyphenyl)-(2,4-difluorophenyl)methanone (PubChem CID 43339880) has the molecular formula C14H9BrF2O2 and a molecular weight of 327.12 g/mol. Its IUPAC name is (3-bromo-4-methoxyphenyl)-(2,4-difluorophenyl)methanone.

Molecular Properties

Compound Name(3-bromo-4-methoxyphenyl)-(2,4-difluorophenyl)methanone
PubChem CID43339880
Molecular FormulaC14H9BrF2O2
Molecular Weight327.12 g/mol
Exact Mass325.98
IUPAC Name(3-bromo-4-methoxyphenyl)-(2,4-difluorophenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(F)cc2F)cc1Br
InChIInChI=1S/C14H9BrF2O2/c1-19-13-5-2-8(6-11(13)15)14(18)10-4-3-9(16)7-12(10)17/h2-7H,1H3
InChIKeyGZZUSQCDTVUGNF-UHFFFAOYSA-N
XLogP3.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.12
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 61033565
(3-bromo-4-methoxyphenyl)-(4-chloro-2-fluorophenyl)methanone
CID 43339851
(3-bromo-4-methylphenyl)-(2,4-difluorophenyl)methanone
CID 81472431
(3-bromo-4-methoxyphenyl)-(2,3-difluoro-4-methylphenyl)methanone
CID 107512834
(3-bromo-4-methoxyphenyl)-(2,3-difluorophenyl)methanone
CID 55101814
(4-bromo-2-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 43474023
1-(3-bromo-4-methoxyphenyl)-2-(2,4-difluorophenoxy)ethanone
CID 43218884
(3-bromo-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 43339859
(3-bromo-4-methoxyphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 81045034
1-(2,4-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethane-1,2-dione
CID 118644019
(3-bromo-4-methoxyphenyl)-(2,6-difluoro-3-methylphenyl)methanone
CID 82814937
(3-bromo-4-methoxyphenyl)-[2-(difluoromethoxy)phenyl]methanone
CID 43339860

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methoxyphenyl)-(2,4-difluorophenyl)methanone?
The IUPAC name of (3-bromo-4-methoxyphenyl)-(2,4-difluorophenyl)methanone (CID 43339880) is (3-bromo-4-methoxyphenyl)-(2,4-difluorophenyl)methanone.
What is the SMILES notation for (3-bromo-4-methoxyphenyl)-(2,4-difluorophenyl)methanone?
The canonical SMILES for (3-bromo-4-methoxyphenyl)-(2,4-difluorophenyl)methanone is COc1ccc(C(=O)c2ccc(F)cc2F)cc1Br.
What is the InChIKey of (3-bromo-4-methoxyphenyl)-(2,4-difluorophenyl)methanone?
The InChIKey is GZZUSQCDTVUGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF2O2/c1-19-13-5-2-8(6-11(13)15)14(18)10-4-3-9(16)7-12(10)17/h2-7H,1H3.
What are the key properties of (3-bromo-4-methoxyphenyl)-(2,4-difluorophenyl)methanone?
(3-bromo-4-methoxyphenyl)-(2,4-difluorophenyl)methanone has a molecular weight of 327.12 g/mol, XLogP of 3.97, 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)-(2,4-difluorophenyl)methanone is sourced from PubChem (CID 43339880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).