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

C14H9BrClFO2 — CID 43561646

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

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

(4-bromo-2-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanone (PubChem CID 43561646) has the molecular formula C14H9BrClFO2 and a molecular weight of 343.58 g/mol. Its IUPAC name is (4-bromo-2-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(4-bromo-2-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanone
PubChem CID43561646
Molecular FormulaC14H9BrClFO2
Molecular Weight343.58 g/mol
Exact Mass341.95
IUPAC Name(4-bromo-2-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(Br)cc2F)c(Cl)c1
InChIInChI=1S/C14H9BrClFO2/c1-19-9-3-5-10(12(16)7-9)14(18)11-4-2-8(15)6-13(11)17/h2-7H,1H3
InChIKeyYINMRALKIGGCML-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

(4-bromo-2-fluorophenyl)-(2-bromo-4-methoxyphenyl)methanone
CID 60786111
(4-chloro-2,5-difluorophenyl)-(2-chloro-4-methoxyphenyl)methanone
CID 82783216
(5-chloro-2-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanone
CID 43561677
(2-bromo-4-chlorophenyl)-(2-chloro-4-methoxyphenyl)methanone
CID 107987161
(3-bromo-2-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanone
CID 114019728
(2-bromophenyl)-(2-chloro-4-methoxyphenyl)methanone
CID 43561746
(2-chloro-4-methoxyphenyl)-(4-fluoro-2-methylphenyl)methanone
CID 113399945
(4-bromo-2-chlorophenyl)-(2-fluorophenyl)methanone
CID 114965969
(2,6-dichlorophenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 43561133
(2-chloro-4-methoxyphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 63210027
(4-bromo-5-chloro-2-fluorophenyl)-(4-bromo-2-chlorophenyl)methanone
CID 105398380
(4-chlorophenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 22475222

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanone?
The IUPAC name of (4-bromo-2-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanone (CID 43561646) is (4-bromo-2-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanone.
What is the SMILES notation for (4-bromo-2-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanone?
The canonical SMILES for (4-bromo-2-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanone is COc1ccc(C(=O)c2ccc(Br)cc2F)c(Cl)c1.
What is the InChIKey of (4-bromo-2-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanone?
The InChIKey is YINMRALKIGGCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClFO2/c1-19-9-3-5-10(12(16)7-9)14(18)11-4-2-8(15)6-13(11)17/h2-7H,1H3.
What are the key properties of (4-bromo-2-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanone?
(4-bromo-2-fluorophenyl)-(2-chloro-4-methoxyphenyl)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 (4-bromo-2-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanone is sourced from PubChem (CID 43561646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).