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

C15H11BrClFO2 — CID 81454699

IUPAC(2-bromo-4-ethoxyphenyl)-(2-chloro-3-fluorophenyl)methanone
SMILESCCOc1ccc(C(=O)c2cccc(F)c2Cl)c(Br)c1
InChIInChI=1S/C15H11BrClFO2/c1-2-20-9-6-7-10(12(16)8-9)15(19)11-4-3-5-13(18)14(11)17/h3-8H,2H2,1H3
InChIKeyPMUGCZSVTJXLNQ-UHFFFAOYSA-N
MW357.61 g/mol
LogP4.87
Rot. Bonds4

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

(2-bromo-4-ethoxyphenyl)-(2-chloro-3-fluorophenyl)methanone (PubChem CID 81454699) has the molecular formula C15H11BrClFO2 and a molecular weight of 357.61 g/mol. Its IUPAC name is (2-bromo-4-ethoxyphenyl)-(2-chloro-3-fluorophenyl)methanone.

Molecular Properties

Compound Name(2-bromo-4-ethoxyphenyl)-(2-chloro-3-fluorophenyl)methanone
PubChem CID81454699
Molecular FormulaC15H11BrClFO2
Molecular Weight357.61 g/mol
Exact Mass355.96
IUPAC Name(2-bromo-4-ethoxyphenyl)-(2-chloro-3-fluorophenyl)methanone
SMILESCCOc1ccc(C(=O)c2cccc(F)c2Cl)c(Br)c1
InChIInChI=1S/C15H11BrClFO2/c1-2-20-9-6-7-10(12(16)8-9)15(19)11-4-3-5-13(18)14(11)17/h3-8H,2H2,1H3
InChIKeyPMUGCZSVTJXLNQ-UHFFFAOYSA-N
XLogP4.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.61
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-4-ethoxyphenyl)-(2,4-dibromophenyl)methanone
CID 107949965
(4-amino-2-bromophenyl)-(2-chloro-3-fluorophenyl)methanone
CID 81461861
(3-amino-2-chlorophenyl)-(2-bromo-4-methoxyphenyl)methanone
CID 112580783
1-(2-bromo-4-ethoxyphenyl)-2,2,2-trifluoroethanone
CID 81429202
3-bromo-1-(2-bromo-4-ethoxyphenyl)propan-1-one
CID 134624468
(2-bromo-4-ethoxyphenyl)-(5-methylfuran-3-yl)methanone
CID 114819681
(2-bromo-4-ethoxyphenyl)-(3-bromo-4-methylphenyl)methanone
CID 81471764
1-(2-bromo-4-ethoxyphenyl)prop-2-en-1-one
CID 103522548
(2-chloro-3-fluorophenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 112694005
(2-bromo-4-chlorophenyl)-(2-fluorophenyl)methanone
CID 107996260
(2-bromo-4-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanone
CID 114025571
(2,3-dichlorophenyl)-(3-ethoxyphenyl)methanone
CID 55188094

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-ethoxyphenyl)-(2-chloro-3-fluorophenyl)methanone?
The IUPAC name of (2-bromo-4-ethoxyphenyl)-(2-chloro-3-fluorophenyl)methanone (CID 81454699) is (2-bromo-4-ethoxyphenyl)-(2-chloro-3-fluorophenyl)methanone.
What is the SMILES notation for (2-bromo-4-ethoxyphenyl)-(2-chloro-3-fluorophenyl)methanone?
The canonical SMILES for (2-bromo-4-ethoxyphenyl)-(2-chloro-3-fluorophenyl)methanone is CCOc1ccc(C(=O)c2cccc(F)c2Cl)c(Br)c1.
What is the InChIKey of (2-bromo-4-ethoxyphenyl)-(2-chloro-3-fluorophenyl)methanone?
The InChIKey is PMUGCZSVTJXLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClFO2/c1-2-20-9-6-7-10(12(16)8-9)15(19)11-4-3-5-13(18)14(11)17/h3-8H,2H2,1H3.
What are the key properties of (2-bromo-4-ethoxyphenyl)-(2-chloro-3-fluorophenyl)methanone?
(2-bromo-4-ethoxyphenyl)-(2-chloro-3-fluorophenyl)methanone has a molecular weight of 357.61 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-ethoxyphenyl)-(2-chloro-3-fluorophenyl)methanone is sourced from PubChem (CID 81454699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).