(3-bromo-4-methoxyphenyl)-(4-chloro-2-fluorophenyl)methanone

C14H9BrClFO2 — CID 43339851

IUPAC(3-bromo-4-methoxyphenyl)-(4-chloro-2-fluorophenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(Cl)cc2F)cc1Br
InChIInChI=1S/C14H9BrClFO2/c1-19-13-5-2-8(6-11(13)15)14(18)10-4-3-9(16)7-12(10)17/h2-7H,1H3
InChIKeyYOJYITMATRHNNU-UHFFFAOYSA-N
MW343.58 g/mol
LogP4.48
Rot. Bonds3

About (3-bromo-4-methoxyphenyl)-(4-chloro-2-fluorophenyl)methanone

(3-bromo-4-methoxyphenyl)-(4-chloro-2-fluorophenyl)methanone (PubChem CID 43339851) has the molecular formula C14H9BrClFO2 and a molecular weight of 343.58 g/mol. Its IUPAC name is (3-bromo-4-methoxyphenyl)-(4-chloro-2-fluorophenyl)methanone.

Molecular Properties

Compound Name(3-bromo-4-methoxyphenyl)-(4-chloro-2-fluorophenyl)methanone
PubChem CID43339851
Molecular FormulaC14H9BrClFO2
Molecular Weight343.58 g/mol
Exact Mass341.95
IUPAC Name(3-bromo-4-methoxyphenyl)-(4-chloro-2-fluorophenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(Cl)cc2F)cc1Br
InChIInChI=1S/C14H9BrClFO2/c1-19-13-5-2-8(6-11(13)15)14(18)10-4-3-9(16)7-12(10)17/h2-7H,1H3
InChIKeyYOJYITMATRHNNU-UHFFFAOYSA-N
XLogP4.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.58
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-4-methoxyphenyl)-(2,4-difluorophenyl)methanone
CID 43339880
(3-bromo-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 43339859
(3-bromo-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 61033565
(2-bromo-4-chlorophenyl)-(3,4-dimethoxyphenyl)methanone
CID 107987119
(3-bromo-4-methoxyphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 81045034
(3-bromo-4-methoxyphenyl)-(2,3-difluoro-4-methylphenyl)methanone
CID 107512834
(3-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanone
CID 107949762
(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)-(4-chloro-2-fluorophenyl)methanone
CID 65440857
(4-bromo-2-chlorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 43805127
(5-chloro-2-methoxyphenyl)-(4-fluoro-3-methoxyphenyl)methanone
CID 112694008

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methoxyphenyl)-(4-chloro-2-fluorophenyl)methanone?
The IUPAC name of (3-bromo-4-methoxyphenyl)-(4-chloro-2-fluorophenyl)methanone (CID 43339851) is (3-bromo-4-methoxyphenyl)-(4-chloro-2-fluorophenyl)methanone.
What is the SMILES notation for (3-bromo-4-methoxyphenyl)-(4-chloro-2-fluorophenyl)methanone?
The canonical SMILES for (3-bromo-4-methoxyphenyl)-(4-chloro-2-fluorophenyl)methanone is COc1ccc(C(=O)c2ccc(Cl)cc2F)cc1Br.
What is the InChIKey of (3-bromo-4-methoxyphenyl)-(4-chloro-2-fluorophenyl)methanone?
The InChIKey is YOJYITMATRHNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClFO2/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)-(4-chloro-2-fluorophenyl)methanone?
(3-bromo-4-methoxyphenyl)-(4-chloro-2-fluorophenyl)methanone has a molecular weight of 343.58 g/mol, XLogP of 4.48, 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)-(4-chloro-2-fluorophenyl)methanone is sourced from PubChem (CID 43339851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).