1-(4-bromo-3-chlorophenyl)-3-(4-methoxyphenyl)propan-1-one

C16H14BrClO2 — CID 114974360

IUPAC1-(4-bromo-3-chlorophenyl)-3-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(CCC(=O)c2ccc(Br)c(Cl)c2)cc1
InChIInChI=1S/C16H14BrClO2/c1-20-13-6-2-11(3-7-13)4-9-16(19)12-5-8-14(17)15(18)10-12/h2-3,5-8,10H,4,9H2,1H3
InChIKeyUNLFLPSPARMXEA-UHFFFAOYSA-N
MW353.64 g/mol
LogP4.93
Rot. Bonds5

About 1-(4-bromo-3-chlorophenyl)-3-(4-methoxyphenyl)propan-1-one

1-(4-bromo-3-chlorophenyl)-3-(4-methoxyphenyl)propan-1-one (PubChem CID 114974360) has the molecular formula C16H14BrClO2 and a molecular weight of 353.64 g/mol. Its IUPAC name is 1-(4-bromo-3-chlorophenyl)-3-(4-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-(4-bromo-3-chlorophenyl)-3-(4-methoxyphenyl)propan-1-one
PubChem CID114974360
Molecular FormulaC16H14BrClO2
Molecular Weight353.64 g/mol
Exact Mass351.99
IUPAC Name1-(4-bromo-3-chlorophenyl)-3-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(CCC(=O)c2ccc(Br)c(Cl)c2)cc1
InChIInChI=1S/C16H14BrClO2/c1-20-13-6-2-11(3-7-13)4-9-16(19)12-5-8-14(17)15(18)10-12/h2-3,5-8,10H,4,9H2,1H3
InChIKeyUNLFLPSPARMXEA-UHFFFAOYSA-N
XLogP4.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.64
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-hydroxyphenyl)-1-(4-methoxyphenyl)propan-1-one
CID 23345320
1-(4-bromo-3-chlorophenyl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103023937
3-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)propan-1-one
CID 43625070
1-(4-fluoro-3-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one
CID 114974368
3-(4-fluorophenyl)-1-(4-methoxyphenyl)propan-1-one
CID 11586950
3-(4-methoxyphenyl)-1-(5-methylthiophen-3-yl)propan-1-one
CID 114975974
3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)propan-1-one
CID 24726104
1-(2-chloro-4-methylphenyl)-3-(4-methoxyphenyl)propan-1-one
CID 106864975
1-(4-bromo-3-chlorophenyl)-2-phenylethanone
CID 81296102
1-(4-methoxyphenyl)-2-(4-propylphenyl)ethanone
CID 71380079
2-(3-bromo-4-methoxyphenyl)-1-(3,4-dichlorophenyl)ethanone
CID 81491659
1-(4-chloro-3-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 68768215

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chlorophenyl)-3-(4-methoxyphenyl)propan-1-one?
The IUPAC name of 1-(4-bromo-3-chlorophenyl)-3-(4-methoxyphenyl)propan-1-one (CID 114974360) is 1-(4-bromo-3-chlorophenyl)-3-(4-methoxyphenyl)propan-1-one.
What is the SMILES notation for 1-(4-bromo-3-chlorophenyl)-3-(4-methoxyphenyl)propan-1-one?
The canonical SMILES for 1-(4-bromo-3-chlorophenyl)-3-(4-methoxyphenyl)propan-1-one is COc1ccc(CCC(=O)c2ccc(Br)c(Cl)c2)cc1.
What is the InChIKey of 1-(4-bromo-3-chlorophenyl)-3-(4-methoxyphenyl)propan-1-one?
The InChIKey is UNLFLPSPARMXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClO2/c1-20-13-6-2-11(3-7-13)4-9-16(19)12-5-8-14(17)15(18)10-12/h2-3,5-8,10H,4,9H2,1H3.
What are the key properties of 1-(4-bromo-3-chlorophenyl)-3-(4-methoxyphenyl)propan-1-one?
1-(4-bromo-3-chlorophenyl)-3-(4-methoxyphenyl)propan-1-one has a molecular weight of 353.64 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-chlorophenyl)-3-(4-methoxyphenyl)propan-1-one is sourced from PubChem (CID 114974360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).