1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)propan-2-one

C15H11Cl3O — CID 39455921

IUPAC1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)propan-2-one
SMILESO=C(Cc1ccc(Cl)cc1)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H11Cl3O/c16-12-4-1-10(2-5-12)7-13(19)8-11-3-6-14(17)15(18)9-11/h1-6,9H,7-8H2
InChIKeyMZFBAZCPWXKSOJ-UHFFFAOYSA-N
MW313.61 g/mol
LogP5.00
Rot. Bonds4

About 1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)propan-2-one

1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)propan-2-one (PubChem CID 39455921) has the molecular formula C15H11Cl3O and a molecular weight of 313.61 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)propan-2-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)propan-2-one
PubChem CID39455921
Molecular FormulaC15H11Cl3O
Molecular Weight313.61 g/mol
Exact Mass311.99
IUPAC Name1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)propan-2-one
SMILESO=C(Cc1ccc(Cl)cc1)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H11Cl3O/c16-12-4-1-10(2-5-12)7-13(19)8-11-3-6-14(17)15(18)9-11/h1-6,9H,7-8H2
InChIKeyMZFBAZCPWXKSOJ-UHFFFAOYSA-N
XLogP5.00
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 ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)propan-2-one?
The IUPAC name of 1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)propan-2-one (CID 39455921) is 1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)propan-2-one.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)propan-2-one?
The canonical SMILES for 1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)propan-2-one is O=C(Cc1ccc(Cl)cc1)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)propan-2-one?
The InChIKey is MZFBAZCPWXKSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl3O/c16-12-4-1-10(2-5-12)7-13(19)8-11-3-6-14(17)15(18)9-11/h1-6,9H,7-8H2.
What are the key properties of 1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)propan-2-one?
1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)propan-2-one has a molecular weight of 313.61 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)propan-2-one is sourced from PubChem (CID 39455921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).