1-(3,4-dichlorophenyl)-3-phenylpropan-1-one

C15H12Cl2O — CID 18351990

IUPAC1-(3,4-dichlorophenyl)-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H12Cl2O/c16-13-8-7-12(10-14(13)17)15(18)9-6-11-4-2-1-3-5-11/h1-5,7-8,10H,6,9H2
InChIKeyDLECOFJLJXJDSS-UHFFFAOYSA-N
MW279.17 g/mol
LogP4.81
Rot. Bonds4

About 1-(3,4-dichlorophenyl)-3-phenylpropan-1-one

1-(3,4-dichlorophenyl)-3-phenylpropan-1-one (PubChem CID 18351990) has the molecular formula C15H12Cl2O and a molecular weight of 279.17 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-phenylpropan-1-one
PubChem CID18351990
Molecular FormulaC15H12Cl2O
Molecular Weight279.17 g/mol
Exact Mass278.03
IUPAC Name1-(3,4-dichlorophenyl)-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H12Cl2O/c16-13-8-7-12(10-14(13)17)15(18)9-6-11-4-2-1-3-5-11/h1-5,7-8,10H,6,9H2
InChIKeyDLECOFJLJXJDSS-UHFFFAOYSA-N
XLogP4.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.17
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)propan-1-one
CID 24726104
1-(3-bromo-4-chlorophenyl)-4-phenylbutan-1-one
CID 115565858
1-(3,4-dichlorophenyl)-2-phenylmethoxyethanone
CID 55031191
1-(3,4-dichlorophenyl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103007783
1-(3,4-dichlorophenyl)pentane-1,4-dione
CID 43608283
1-(4-iodophenyl)-3-phenylpropan-1-one
CID 43160297
1-(6-bromonaphthalen-2-yl)-3-phenylpropan-1-one
CID 114962828
5-(3-phenylpropanoyl)-1,3-dihydrobenzimidazol-2-one
CID 43338635
1-(4-bromo-3-fluorophenyl)-3-phenylpropan-1-one
CID 24725587
1-(4-amino-3-fluorophenyl)-3-phenylpropan-1-one
CID 116547242
2-(3-aminophenyl)-1-(3,4-dichlorophenyl)ethanone
CID 116577263
1-[4-(aminomethyl)phenyl]-3-phenylpropan-1-one
CID 116548233

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-phenylpropan-1-one?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-phenylpropan-1-one (CID 18351990) is 1-(3,4-dichlorophenyl)-3-phenylpropan-1-one.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-phenylpropan-1-one?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-phenylpropan-1-one is O=C(CCc1ccccc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-phenylpropan-1-one?
The InChIKey is DLECOFJLJXJDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O/c16-13-8-7-12(10-14(13)17)15(18)9-6-11-4-2-1-3-5-11/h1-5,7-8,10H,6,9H2.
What are the key properties of 1-(3,4-dichlorophenyl)-3-phenylpropan-1-one?
1-(3,4-dichlorophenyl)-3-phenylpropan-1-one has a molecular weight of 279.17 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-phenylpropan-1-one is sourced from PubChem (CID 18351990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).