(5-bromo-2-ethoxyphenyl)-(3-chlorophenyl)methanone

C15H12BrClO2 — CID 43311306

IUPAC(5-bromo-2-ethoxyphenyl)-(3-chlorophenyl)methanone
SMILESCCOc1ccc(Br)cc1C(=O)c1cccc(Cl)c1
InChIInChI=1S/C15H12BrClO2/c1-2-19-14-7-6-11(16)9-13(14)15(18)10-4-3-5-12(17)8-10/h3-9H,2H2,1H3
InChIKeyCWYJXEBNVNPKCQ-UHFFFAOYSA-N
MW339.62 g/mol
LogP4.73
Rot. Bonds4

About (5-bromo-2-ethoxyphenyl)-(3-chlorophenyl)methanone

(5-bromo-2-ethoxyphenyl)-(3-chlorophenyl)methanone (PubChem CID 43311306) has the molecular formula C15H12BrClO2 and a molecular weight of 339.62 g/mol. Its IUPAC name is (5-bromo-2-ethoxyphenyl)-(3-chlorophenyl)methanone.

Molecular Properties

Compound Name(5-bromo-2-ethoxyphenyl)-(3-chlorophenyl)methanone
PubChem CID43311306
Molecular FormulaC15H12BrClO2
Molecular Weight339.62 g/mol
Exact Mass337.97
IUPAC Name(5-bromo-2-ethoxyphenyl)-(3-chlorophenyl)methanone
SMILESCCOc1ccc(Br)cc1C(=O)c1cccc(Cl)c1
InChIInChI=1S/C15H12BrClO2/c1-2-19-14-7-6-11(16)9-13(14)15(18)10-4-3-5-12(17)8-10/h3-9H,2H2,1H3
InChIKeyCWYJXEBNVNPKCQ-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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Related Compounds

(5-bromo-2-ethoxyphenyl)-(3-chloro-2-methylphenyl)methanone
CID 107096153
(5-bromo-2-methoxyphenyl)-(3-bromophenyl)methanone
CID 43161777
(5-bromo-2-ethoxyphenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 62919039
(5-bromo-2-ethoxyphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanone
CID 63732050
(3-amino-5-bromo-2-methylphenyl)-(5-bromo-2-ethoxyphenyl)methanone
CID 107874153
(2-amino-4-bromophenyl)-(3-chlorophenyl)methanone
CID 116591876
(3-chlorophenyl) (E)-3-(5-bromo-2-ethoxyphenyl)prop-2-enoate
CID 19185345
(3-bromo-2-chlorophenyl)-(3-bromo-4-ethoxyphenyl)methanone
CID 104656941
3-(5-bromo-2-ethoxybenzoyl)oxybenzoic acid
CID 54855265
(5-bromo-2-methoxyphenyl)-(4-ethoxyphenyl)methanone
CID 43339931
(3-bromo-4-ethoxyphenyl)-(3-chloro-2-methylphenyl)methanone
CID 107096226
3-[(5-bromo-2-ethoxybenzoyl)amino]benzoic acid
CID 1026604

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-ethoxyphenyl)-(3-chlorophenyl)methanone?
The IUPAC name of (5-bromo-2-ethoxyphenyl)-(3-chlorophenyl)methanone (CID 43311306) is (5-bromo-2-ethoxyphenyl)-(3-chlorophenyl)methanone.
What is the SMILES notation for (5-bromo-2-ethoxyphenyl)-(3-chlorophenyl)methanone?
The canonical SMILES for (5-bromo-2-ethoxyphenyl)-(3-chlorophenyl)methanone is CCOc1ccc(Br)cc1C(=O)c1cccc(Cl)c1.
What is the InChIKey of (5-bromo-2-ethoxyphenyl)-(3-chlorophenyl)methanone?
The InChIKey is CWYJXEBNVNPKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClO2/c1-2-19-14-7-6-11(16)9-13(14)15(18)10-4-3-5-12(17)8-10/h3-9H,2H2,1H3.
What are the key properties of (5-bromo-2-ethoxyphenyl)-(3-chlorophenyl)methanone?
(5-bromo-2-ethoxyphenyl)-(3-chlorophenyl)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-ethoxyphenyl)-(3-chlorophenyl)methanone is sourced from PubChem (CID 43311306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).