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

C15H11BrClFO2 — CID 81454574

IUPAC(5-bromo-2-ethoxyphenyl)-(2-chloro-3-fluorophenyl)methanone
SMILESCCOc1ccc(Br)cc1C(=O)c1cccc(F)c1Cl
InChIInChI=1S/C15H11BrClFO2/c1-2-20-13-7-6-9(16)8-11(13)15(19)10-4-3-5-12(18)14(10)17/h3-8H,2H2,1H3
InChIKeyWWQVHEAKMIABGD-UHFFFAOYSA-N
MW357.61 g/mol
LogP4.87
Rot. Bonds4

About (5-bromo-2-ethoxyphenyl)-(2-chloro-3-fluorophenyl)methanone

(5-bromo-2-ethoxyphenyl)-(2-chloro-3-fluorophenyl)methanone (PubChem CID 81454574) has the molecular formula C15H11BrClFO2 and a molecular weight of 357.61 g/mol. Its IUPAC name is (5-bromo-2-ethoxyphenyl)-(2-chloro-3-fluorophenyl)methanone.

Molecular Properties

Compound Name(5-bromo-2-ethoxyphenyl)-(2-chloro-3-fluorophenyl)methanone
PubChem CID81454574
Molecular FormulaC15H11BrClFO2
Molecular Weight357.61 g/mol
Exact Mass355.96
IUPAC Name(5-bromo-2-ethoxyphenyl)-(2-chloro-3-fluorophenyl)methanone
SMILESCCOc1ccc(Br)cc1C(=O)c1cccc(F)c1Cl
InChIInChI=1S/C15H11BrClFO2/c1-2-20-13-7-6-9(16)8-11(13)15(19)10-4-3-5-12(18)14(10)17/h3-8H,2H2,1H3
InChIKeyWWQVHEAKMIABGD-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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Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-ethoxyphenyl)-(2-chloro-3-fluorophenyl)methanone?
The IUPAC name of (5-bromo-2-ethoxyphenyl)-(2-chloro-3-fluorophenyl)methanone (CID 81454574) is (5-bromo-2-ethoxyphenyl)-(2-chloro-3-fluorophenyl)methanone.
What is the SMILES notation for (5-bromo-2-ethoxyphenyl)-(2-chloro-3-fluorophenyl)methanone?
The canonical SMILES for (5-bromo-2-ethoxyphenyl)-(2-chloro-3-fluorophenyl)methanone is CCOc1ccc(Br)cc1C(=O)c1cccc(F)c1Cl.
What is the InChIKey of (5-bromo-2-ethoxyphenyl)-(2-chloro-3-fluorophenyl)methanone?
The InChIKey is WWQVHEAKMIABGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClFO2/c1-2-20-13-7-6-9(16)8-11(13)15(19)10-4-3-5-12(18)14(10)17/h3-8H,2H2,1H3.
What are the key properties of (5-bromo-2-ethoxyphenyl)-(2-chloro-3-fluorophenyl)methanone?
(5-bromo-2-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 (5-bromo-2-ethoxyphenyl)-(2-chloro-3-fluorophenyl)methanone is sourced from PubChem (CID 81454574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).