3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)propan-1-one

C15H11Cl3O — CID 24726104

IUPAC3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)propan-1-one
SMILESO=C(CCc1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H11Cl3O/c16-12-5-1-10(2-6-12)3-8-15(19)11-4-7-13(17)14(18)9-11/h1-2,4-7,9H,3,8H2
InChIKeyTWAUQKNISTVTKD-UHFFFAOYSA-N
MW313.61 g/mol
LogP5.46
Rot. Bonds4

About 3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)propan-1-one

3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)propan-1-one (PubChem CID 24726104) has the molecular formula C15H11Cl3O and a molecular weight of 313.61 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)propan-1-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)propan-1-one
PubChem CID24726104
Molecular FormulaC15H11Cl3O
Molecular Weight313.61 g/mol
Exact Mass311.99
IUPAC Name3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)propan-1-one
SMILESO=C(CCc1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H11Cl3O/c16-12-5-1-10(2-6-12)3-8-15(19)11-4-7-13(17)14(18)9-11/h1-2,4-7,9H,3,8H2
InChIKeyTWAUQKNISTVTKD-UHFFFAOYSA-N
XLogP5.46
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.61
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-dichlorophenyl)-3-phenylpropan-1-one
CID 18351990
1-(3,4-dichlorophenyl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103007783
1-(3,4-dichlorophenyl)pentane-1,4-dione
CID 43608283
3-(3-chlorophenyl)-1-(4-chlorophenyl)propan-1-one
CID 24726034
1-(2-chlorophenyl)-3-(4-chlorophenyl)propan-1-one
CID 24726092
(4-chlorophenyl)methyl 3,4-dichlorobenzoate
CID 977859
1-(3-chloro-4-iodophenyl)-2-(4-chlorophenyl)ethanone
CID 103213897
1-(4-bromo-3-chlorophenyl)-3-(4-methoxyphenyl)propan-1-one
CID 114974360
4-[4-[3-(3,4-dichlorophenyl)-3-oxopropyl]phenyl]-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione
CID 170153658
2-(2,4-dichlorophenyl)-1-(3,4-dichlorophenyl)ethanone
CID 63409426
1-(3-chloro-4-iodophenyl)-2-(3,4-dichlorophenyl)ethanone
CID 103214014
1-(3,4-dichlorophenyl)-2-sulfanylethanone
CID 58957134

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)propan-1-one?
The IUPAC name of 3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)propan-1-one (CID 24726104) is 3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)propan-1-one.
What is the SMILES notation for 3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)propan-1-one?
The canonical SMILES for 3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)propan-1-one is O=C(CCc1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)propan-1-one?
The InChIKey is TWAUQKNISTVTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl3O/c16-12-5-1-10(2-6-12)3-8-15(19)11-4-7-13(17)14(18)9-11/h1-2,4-7,9H,3,8H2.
What are the key properties of 3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)propan-1-one?
3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)propan-1-one has a molecular weight of 313.61 g/mol, XLogP of 5.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)propan-1-one is sourced from PubChem (CID 24726104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).