(5-bromo-4-fluoro-2-methoxyphenyl)-(4-chlorophenyl)methanone

C14H9BrClFO2 — CID 103394161

IUPAC(5-bromo-4-fluoro-2-methoxyphenyl)-(4-chlorophenyl)methanone
SMILESCOc1cc(F)c(Br)cc1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H9BrClFO2/c1-19-13-7-12(17)11(15)6-10(13)14(18)8-2-4-9(16)5-3-8/h2-7H,1H3
InChIKeyKOYUTZOZMQKKLF-UHFFFAOYSA-N
MW343.58 g/mol
LogP4.48
Rot. Bonds3

About (5-bromo-4-fluoro-2-methoxyphenyl)-(4-chlorophenyl)methanone

(5-bromo-4-fluoro-2-methoxyphenyl)-(4-chlorophenyl)methanone (PubChem CID 103394161) has the molecular formula C14H9BrClFO2 and a molecular weight of 343.58 g/mol. Its IUPAC name is (5-bromo-4-fluoro-2-methoxyphenyl)-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name(5-bromo-4-fluoro-2-methoxyphenyl)-(4-chlorophenyl)methanone
PubChem CID103394161
Molecular FormulaC14H9BrClFO2
Molecular Weight343.58 g/mol
Exact Mass341.95
IUPAC Name(5-bromo-4-fluoro-2-methoxyphenyl)-(4-chlorophenyl)methanone
SMILESCOc1cc(F)c(Br)cc1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H9BrClFO2/c1-19-13-7-12(17)11(15)6-10(13)14(18)8-2-4-9(16)5-3-8/h2-7H,1H3
InChIKeyKOYUTZOZMQKKLF-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-amino-3-chlorophenyl)-(5-bromo-4-fluoro-2-methoxyphenyl)methanone
CID 103396687
(3-amino-5-chlorophenyl)-(5-bromo-4-fluoro-2-methoxyphenyl)methanone
CID 103396702
(5-bromo-4-fluoro-2-methoxyphenyl)-(2-bromophenyl)methanone
CID 103394193
(3-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanone
CID 107949762
(5-bromo-4-fluoro-2-methoxyphenyl)-(2-bromo-6-fluorophenyl)methanone
CID 103394058
(3-bromo-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 43339859
(5-bromo-4-fluoro-2-methoxyphenyl)-(2-bromofuran-3-yl)methanone
CID 106851427
(5-bromo-4-fluoro-2-methoxyphenyl)-(5-bromofuran-2-yl)methanone
CID 103394164
(3-bromo-4-methoxyphenyl)-(4-chloro-2-fluorophenyl)methanone
CID 43339851
(4-bromo-2,5-dimethoxyphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 105056482
(4-chlorophenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 22475222
(3-bromo-4-fluorophenyl)-(4-chloro-3-methoxyphenyl)methanone
CID 82809769

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-fluoro-2-methoxyphenyl)-(4-chlorophenyl)methanone?
The IUPAC name of (5-bromo-4-fluoro-2-methoxyphenyl)-(4-chlorophenyl)methanone (CID 103394161) is (5-bromo-4-fluoro-2-methoxyphenyl)-(4-chlorophenyl)methanone.
What is the SMILES notation for (5-bromo-4-fluoro-2-methoxyphenyl)-(4-chlorophenyl)methanone?
The canonical SMILES for (5-bromo-4-fluoro-2-methoxyphenyl)-(4-chlorophenyl)methanone is COc1cc(F)c(Br)cc1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of (5-bromo-4-fluoro-2-methoxyphenyl)-(4-chlorophenyl)methanone?
The InChIKey is KOYUTZOZMQKKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClFO2/c1-19-13-7-12(17)11(15)6-10(13)14(18)8-2-4-9(16)5-3-8/h2-7H,1H3.
What are the key properties of (5-bromo-4-fluoro-2-methoxyphenyl)-(4-chlorophenyl)methanone?
(5-bromo-4-fluoro-2-methoxyphenyl)-(4-chlorophenyl)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 (5-bromo-4-fluoro-2-methoxyphenyl)-(4-chlorophenyl)methanone is sourced from PubChem (CID 103394161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).