1-(3-bromophenyl)-2-[(4-chlorophenyl)methoxy]ethanone

C15H12BrClO2 — CID 65126287

IUPAC1-(3-bromophenyl)-2-[(4-chlorophenyl)methoxy]ethanone
SMILESO=C(COCc1ccc(Cl)cc1)c1cccc(Br)c1
InChIInChI=1S/C15H12BrClO2/c16-13-3-1-2-12(8-13)15(18)10-19-9-11-4-6-14(17)7-5-11/h1-8H,9-10H2
InChIKeyRVZTWWUIEUEDQJ-UHFFFAOYSA-N
MW339.62 g/mol
LogP4.50
Rot. Bonds5

About 1-(3-bromophenyl)-2-[(4-chlorophenyl)methoxy]ethanone

1-(3-bromophenyl)-2-[(4-chlorophenyl)methoxy]ethanone (PubChem CID 65126287) has the molecular formula C15H12BrClO2 and a molecular weight of 339.62 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-[(4-chlorophenyl)methoxy]ethanone.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-[(4-chlorophenyl)methoxy]ethanone
PubChem CID65126287
Molecular FormulaC15H12BrClO2
Molecular Weight339.62 g/mol
Exact Mass337.97
IUPAC Name1-(3-bromophenyl)-2-[(4-chlorophenyl)methoxy]ethanone
SMILESO=C(COCc1ccc(Cl)cc1)c1cccc(Br)c1
InChIInChI=1S/C15H12BrClO2/c16-13-3-1-2-12(8-13)15(18)10-19-9-11-4-6-14(17)7-5-11/h1-8H,9-10H2
InChIKeyRVZTWWUIEUEDQJ-UHFFFAOYSA-N
XLogP4.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.62
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-2-[(4-chlorophenyl)methoxy]ethanone
CID 65126242
1-(4-chlorophenyl)-2-[(4-chlorophenyl)methoxy]ethanone
CID 65126049
1-bromo-3-[(4-chlorophenyl)methoxymethyl]benzene
CID 65125960
1-(3-bromophenyl)-2-[(4-chlorophenyl)methyl-methylamino]ethanone
CID 62037578
1-(3-bromophenyl)-2-(3-chloro-4-fluorophenyl)ethanone
CID 103805205
[2-(3-bromophenyl)-2-oxoethyl] carbamate
CID 67555042
1-(3-bromophenyl)-2-(2-chlorophenoxy)ethanone
CID 60625595
4-[2-[(4-chlorophenyl)methoxy]acetyl]benzonitrile
CID 65126529
2-(4-bromo-2-chlorophenoxy)-1-(3-bromophenyl)ethanone
CID 7809726
2-[(3-bromophenyl)methoxy]-1-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 82810406
1-(3-bromophenyl)-2-(5-chloro-2-fluorophenyl)ethanone
CID 103047928
1-(3,4-dichlorophenyl)-2-phenylmethoxyethanone
CID 55031191

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-[(4-chlorophenyl)methoxy]ethanone?
The IUPAC name of 1-(3-bromophenyl)-2-[(4-chlorophenyl)methoxy]ethanone (CID 65126287) is 1-(3-bromophenyl)-2-[(4-chlorophenyl)methoxy]ethanone.
What is the SMILES notation for 1-(3-bromophenyl)-2-[(4-chlorophenyl)methoxy]ethanone?
The canonical SMILES for 1-(3-bromophenyl)-2-[(4-chlorophenyl)methoxy]ethanone is O=C(COCc1ccc(Cl)cc1)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-[(4-chlorophenyl)methoxy]ethanone?
The InChIKey is RVZTWWUIEUEDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClO2/c16-13-3-1-2-12(8-13)15(18)10-19-9-11-4-6-14(17)7-5-11/h1-8H,9-10H2.
What are the key properties of 1-(3-bromophenyl)-2-[(4-chlorophenyl)methoxy]ethanone?
1-(3-bromophenyl)-2-[(4-chlorophenyl)methoxy]ethanone has a molecular weight of 339.62 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-[(4-chlorophenyl)methoxy]ethanone is sourced from PubChem (CID 65126287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).