(4-chlorophenyl)-[4-(2-phenylethyl)phenyl]methanone

C21H17ClO — CID 3062519

IUPAC(4-chlorophenyl)-[4-(2-phenylethyl)phenyl]methanone
SMILESO=C(c1ccc(Cl)cc1)c1ccc(CCc2ccccc2)cc1
InChIInChI=1S/C21H17ClO/c22-20-14-12-19(13-15-20)21(23)18-10-8-17(9-11-18)7-6-16-4-2-1-3-5-16/h1-5,8-15H,6-7H2
InChIKeyMIABIZZEUCPFFZ-UHFFFAOYSA-N
MW320.82 g/mol
LogP5.36
Rot. Bonds5

About (4-chlorophenyl)-[4-(2-phenylethyl)phenyl]methanone

(4-chlorophenyl)-[4-(2-phenylethyl)phenyl]methanone (PubChem CID 3062519) has the molecular formula C21H17ClO and a molecular weight of 320.82 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-(2-phenylethyl)phenyl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-(2-phenylethyl)phenyl]methanone
PubChem CID3062519
Molecular FormulaC21H17ClO
Molecular Weight320.82 g/mol
Exact Mass320.10
IUPAC Name(4-chlorophenyl)-[4-(2-phenylethyl)phenyl]methanone
SMILESO=C(c1ccc(Cl)cc1)c1ccc(CCc2ccccc2)cc1
InChIInChI=1S/C21H17ClO/c22-20-14-12-19(13-15-20)21(23)18-10-8-17(9-11-18)7-6-16-4-2-1-3-5-16/h1-5,8-15H,6-7H2
InChIKeyMIABIZZEUCPFFZ-UHFFFAOYSA-N
XLogP5.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.82
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-(2-phenylethyl)phenyl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-(2-phenylethyl)phenyl]methanone (CID 3062519) is (4-chlorophenyl)-[4-(2-phenylethyl)phenyl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-(2-phenylethyl)phenyl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-(2-phenylethyl)phenyl]methanone is O=C(c1ccc(Cl)cc1)c1ccc(CCc2ccccc2)cc1.
What is the InChIKey of (4-chlorophenyl)-[4-(2-phenylethyl)phenyl]methanone?
The InChIKey is MIABIZZEUCPFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClO/c22-20-14-12-19(13-15-20)21(23)18-10-8-17(9-11-18)7-6-16-4-2-1-3-5-16/h1-5,8-15H,6-7H2.
What are the key properties of (4-chlorophenyl)-[4-(2-phenylethyl)phenyl]methanone?
(4-chlorophenyl)-[4-(2-phenylethyl)phenyl]methanone has a molecular weight of 320.82 g/mol, XLogP of 5.36, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-(2-phenylethyl)phenyl]methanone is sourced from PubChem (CID 3062519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).