3-(4-bromophenyl)-1-(3-chlorophenyl)-3-methoxypropan-1-one

C16H14BrClO2 — CID 102190330

IUPAC3-(4-bromophenyl)-1-(3-chlorophenyl)-3-methoxypropan-1-one
SMILESCOC(CC(=O)c1cccc(Cl)c1)c1ccc(Br)cc1
InChIInChI=1S/C16H14BrClO2/c1-20-16(11-5-7-13(17)8-6-11)10-15(19)12-3-2-4-14(18)9-12/h2-9,16H,10H2,1H3
InChIKeyGGZFBHBJVSZBJE-UHFFFAOYSA-N
MW353.64 g/mol
LogP5.06
Rot. Bonds5

About 3-(4-bromophenyl)-1-(3-chlorophenyl)-3-methoxypropan-1-one

3-(4-bromophenyl)-1-(3-chlorophenyl)-3-methoxypropan-1-one (PubChem CID 102190330) has the molecular formula C16H14BrClO2 and a molecular weight of 353.64 g/mol. Its IUPAC name is 3-(4-bromophenyl)-1-(3-chlorophenyl)-3-methoxypropan-1-one.

Molecular Properties

Compound Name3-(4-bromophenyl)-1-(3-chlorophenyl)-3-methoxypropan-1-one
PubChem CID102190330
Molecular FormulaC16H14BrClO2
Molecular Weight353.64 g/mol
Exact Mass351.99
IUPAC Name3-(4-bromophenyl)-1-(3-chlorophenyl)-3-methoxypropan-1-one
SMILESCOC(CC(=O)c1cccc(Cl)c1)c1ccc(Br)cc1
InChIInChI=1S/C16H14BrClO2/c1-20-16(11-5-7-13(17)8-6-11)10-15(19)12-3-2-4-14(18)9-12/h2-9,16H,10H2,1H3
InChIKeyGGZFBHBJVSZBJE-UHFFFAOYSA-N
XLogP5.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.64
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-3-(3-chloroanilino)-3-(4-methoxyphenyl)propan-1-one
CID 132592454
methyl 2-(4-bromophenyl)-4-(3-methylphenyl)-4-oxobutanoate
CID 3675113
2-[(4-bromophenyl)methoxy]-1-(3-chlorophenyl)propan-1-one
CID 82826755
1-(3-chlorophenyl)-2-propan-2-yloxyethanone
CID 43798807
2-(5-bromo-2-fluorophenyl)-1-(3-chlorophenyl)ethanone
CID 55186206
2-[3-(3-chlorophenyl)-3-oxo-1-phenylpropyl]propanedioic acid
CID 66759629
(2R)-2-(4-bromophenyl)-2-methoxyethanol
CID 59315196
2-(4-bromophenyl)-2-methoxyethanol
CID 20785407
(3R)-3-(4-bromophenyl)-1-phenylpentan-1-one
CID 102486648
(3S)-3-(3-chlorophenyl)-1-phenylpentan-1-one
CID 58517183
(2-methoxy-1-phenylethyl) 3-chlorobenzoate
CID 90150998
1-(3-chlorophenyl)butane-1,3-dione
CID 15256966

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-1-(3-chlorophenyl)-3-methoxypropan-1-one?
The IUPAC name of 3-(4-bromophenyl)-1-(3-chlorophenyl)-3-methoxypropan-1-one (CID 102190330) is 3-(4-bromophenyl)-1-(3-chlorophenyl)-3-methoxypropan-1-one.
What is the SMILES notation for 3-(4-bromophenyl)-1-(3-chlorophenyl)-3-methoxypropan-1-one?
The canonical SMILES for 3-(4-bromophenyl)-1-(3-chlorophenyl)-3-methoxypropan-1-one is COC(CC(=O)c1cccc(Cl)c1)c1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)-1-(3-chlorophenyl)-3-methoxypropan-1-one?
The InChIKey is GGZFBHBJVSZBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClO2/c1-20-16(11-5-7-13(17)8-6-11)10-15(19)12-3-2-4-14(18)9-12/h2-9,16H,10H2,1H3.
What are the key properties of 3-(4-bromophenyl)-1-(3-chlorophenyl)-3-methoxypropan-1-one?
3-(4-bromophenyl)-1-(3-chlorophenyl)-3-methoxypropan-1-one has a molecular weight of 353.64 g/mol, XLogP of 5.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-1-(3-chlorophenyl)-3-methoxypropan-1-one is sourced from PubChem (CID 102190330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).