(5-bromo-2-chlorophenyl)-(4-ethoxyphenyl)methanone

C15H12BrClO2 — CID 10020105

IUPAC(5-bromo-2-chlorophenyl)-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)c2cc(Br)ccc2Cl)cc1
InChIInChI=1S/C15H12BrClO2/c1-2-19-12-6-3-10(4-7-12)15(18)13-9-11(16)5-8-14(13)17/h3-9H,2H2,1H3
InChIKeyOEURLNJEQCLGPS-UHFFFAOYSA-N
MW339.62 g/mol
LogP4.73
Rot. Bonds4

About (5-bromo-2-chlorophenyl)-(4-ethoxyphenyl)methanone

(5-bromo-2-chlorophenyl)-(4-ethoxyphenyl)methanone (PubChem CID 10020105) has the molecular formula C15H12BrClO2 and a molecular weight of 339.62 g/mol. Its IUPAC name is (5-bromo-2-chlorophenyl)-(4-ethoxyphenyl)methanone.

Molecular Properties

Compound Name(5-bromo-2-chlorophenyl)-(4-ethoxyphenyl)methanone
PubChem CID10020105
Molecular FormulaC15H12BrClO2
Molecular Weight339.62 g/mol
Exact Mass337.97
IUPAC Name(5-bromo-2-chlorophenyl)-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)c2cc(Br)ccc2Cl)cc1
InChIInChI=1S/C15H12BrClO2/c1-2-19-12-6-3-10(4-7-12)15(18)13-9-11(16)5-8-14(13)17/h3-9H,2H2,1H3
InChIKeyOEURLNJEQCLGPS-UHFFFAOYSA-N
XLogP4.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.62
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-chlorophenyl)-(4-ethoxyphenyl)methanone?
The IUPAC name of (5-bromo-2-chlorophenyl)-(4-ethoxyphenyl)methanone (CID 10020105) is (5-bromo-2-chlorophenyl)-(4-ethoxyphenyl)methanone.
What is the SMILES notation for (5-bromo-2-chlorophenyl)-(4-ethoxyphenyl)methanone?
The canonical SMILES for (5-bromo-2-chlorophenyl)-(4-ethoxyphenyl)methanone is CCOc1ccc(C(=O)c2cc(Br)ccc2Cl)cc1.
What is the InChIKey of (5-bromo-2-chlorophenyl)-(4-ethoxyphenyl)methanone?
The InChIKey is OEURLNJEQCLGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClO2/c1-2-19-12-6-3-10(4-7-12)15(18)13-9-11(16)5-8-14(13)17/h3-9H,2H2,1H3.
What are the key properties of (5-bromo-2-chlorophenyl)-(4-ethoxyphenyl)methanone?
(5-bromo-2-chlorophenyl)-(4-ethoxyphenyl)methanone has a molecular weight of 339.62 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-chlorophenyl)-(4-ethoxyphenyl)methanone is sourced from PubChem (CID 10020105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).