5-(4-chlorophenyl)-5-phenylcyclopent-2-en-1-one

C17H13ClO — CID 14711238

IUPAC5-(4-chlorophenyl)-5-phenylcyclopent-2-en-1-one
SMILESO=C1C=CCC1(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H13ClO/c18-15-10-8-14(9-11-15)17(12-4-7-16(17)19)13-5-2-1-3-6-13/h1-11H,12H2
InChIKeyRJLSWWBBVKMNFF-UHFFFAOYSA-N
MW268.74 g/mol
LogP4.16
Rot. Bonds2

About 5-(4-chlorophenyl)-5-phenylcyclopent-2-en-1-one

5-(4-chlorophenyl)-5-phenylcyclopent-2-en-1-one (PubChem CID 14711238) has the molecular formula C17H13ClO and a molecular weight of 268.74 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-5-phenylcyclopent-2-en-1-one.

Molecular Properties

Compound Name5-(4-chlorophenyl)-5-phenylcyclopent-2-en-1-one
PubChem CID14711238
Molecular FormulaC17H13ClO
Molecular Weight268.74 g/mol
Exact Mass268.07
IUPAC Name5-(4-chlorophenyl)-5-phenylcyclopent-2-en-1-one
SMILESO=C1C=CCC1(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H13ClO/c18-15-10-8-14(9-11-15)17(12-4-7-16(17)19)13-5-2-1-3-6-13/h1-11H,12H2
InChIKeyRJLSWWBBVKMNFF-UHFFFAOYSA-N
XLogP4.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-5-phenylcyclopent-2-en-1-one?
The IUPAC name of 5-(4-chlorophenyl)-5-phenylcyclopent-2-en-1-one (CID 14711238) is 5-(4-chlorophenyl)-5-phenylcyclopent-2-en-1-one.
What is the SMILES notation for 5-(4-chlorophenyl)-5-phenylcyclopent-2-en-1-one?
The canonical SMILES for 5-(4-chlorophenyl)-5-phenylcyclopent-2-en-1-one is O=C1C=CCC1(c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-5-phenylcyclopent-2-en-1-one?
The InChIKey is RJLSWWBBVKMNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClO/c18-15-10-8-14(9-11-15)17(12-4-7-16(17)19)13-5-2-1-3-6-13/h1-11H,12H2.
What are the key properties of 5-(4-chlorophenyl)-5-phenylcyclopent-2-en-1-one?
5-(4-chlorophenyl)-5-phenylcyclopent-2-en-1-one has a molecular weight of 268.74 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-5-phenylcyclopent-2-en-1-one is sourced from PubChem (CID 14711238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).