1,3-bis[4-(4-chlorophenyl)phenyl]propan-2-one

C27H20Cl2O — CID 141275371

IUPAC1,3-bis[4-(4-chlorophenyl)phenyl]propan-2-one
SMILESO=C(Cc1ccc(-c2ccc(Cl)cc2)cc1)Cc1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C27H20Cl2O/c28-25-13-9-23(10-14-25)21-5-1-19(2-6-21)17-27(30)18-20-3-7-22(8-4-20)24-11-15-26(29)16-12-24/h1-16H,17-18H2
InChIKeyKPLJRGUEFUNFME-UHFFFAOYSA-N
MW431.36 g/mol
LogP7.68
Rot. Bonds6

About 1,3-bis[4-(4-chlorophenyl)phenyl]propan-2-one

1,3-bis[4-(4-chlorophenyl)phenyl]propan-2-one (PubChem CID 141275371) has the molecular formula C27H20Cl2O and a molecular weight of 431.36 g/mol. Its IUPAC name is 1,3-bis[4-(4-chlorophenyl)phenyl]propan-2-one.

Molecular Properties

Compound Name1,3-bis[4-(4-chlorophenyl)phenyl]propan-2-one
PubChem CID141275371
Molecular FormulaC27H20Cl2O
Molecular Weight431.36 g/mol
Exact Mass430.09
IUPAC Name1,3-bis[4-(4-chlorophenyl)phenyl]propan-2-one
SMILESO=C(Cc1ccc(-c2ccc(Cl)cc2)cc1)Cc1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C27H20Cl2O/c28-25-13-9-23(10-14-25)21-5-1-19(2-6-21)17-27(30)18-20-3-7-22(8-4-20)24-11-15-26(29)16-12-24/h1-16H,17-18H2
InChIKeyKPLJRGUEFUNFME-UHFFFAOYSA-N
XLogP7.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.36
LogP ≤ 57.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-bis(4-chlorophenyl)propan-2-one
CID 11097890
1-(4-chlorophenyl)-3-(4-iodophenyl)propan-2-one
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CID 12071752
1-(4-chlorophenyl)butan-2-one
CID 39237509
2-(4-chlorophenyl)acetate
CID 5460378
1-(4-chlorophenyl)-4-(4-methylphenyl)butan-2-one
CID 62503294
1-[4-(4-chlorophenoxy)phenyl]-3-phenylpropan-2-one
CID 157438044
N-tert-butyl-2-[4-(4-chlorophenyl)phenyl]acetamide
CID 59659873
1-(4-chlorophenyl)-3-naphthalen-2-ylpropan-2-one
CID 90865264
2-(4-chlorophenyl)acetyl iodide
CID 89264950
1-(4-chlorophenyl)-3-(furan-2-yl)propan-2-one
CID 83172819
1-(4-chlorophenyl)-3-(3-fluorophenyl)propan-2-one
CID 39362692

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[4-(4-chlorophenyl)phenyl]propan-2-one?
The IUPAC name of 1,3-bis[4-(4-chlorophenyl)phenyl]propan-2-one (CID 141275371) is 1,3-bis[4-(4-chlorophenyl)phenyl]propan-2-one.
What is the SMILES notation for 1,3-bis[4-(4-chlorophenyl)phenyl]propan-2-one?
The canonical SMILES for 1,3-bis[4-(4-chlorophenyl)phenyl]propan-2-one is O=C(Cc1ccc(-c2ccc(Cl)cc2)cc1)Cc1ccc(-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1,3-bis[4-(4-chlorophenyl)phenyl]propan-2-one?
The InChIKey is KPLJRGUEFUNFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20Cl2O/c28-25-13-9-23(10-14-25)21-5-1-19(2-6-21)17-27(30)18-20-3-7-22(8-4-20)24-11-15-26(29)16-12-24/h1-16H,17-18H2.
What are the key properties of 1,3-bis[4-(4-chlorophenyl)phenyl]propan-2-one?
1,3-bis[4-(4-chlorophenyl)phenyl]propan-2-one has a molecular weight of 431.36 g/mol, XLogP of 7.68, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[4-(4-chlorophenyl)phenyl]propan-2-one is sourced from PubChem (CID 141275371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).