(E)-1,5-diphenylpent-2-en-1-one

C17H16O — CID 10879121

IUPAC(E)-1,5-diphenylpent-2-en-1-one
SMILESO=C(/C=C/CCc1ccccc1)c1ccccc1
InChIInChI=1S/C17H16O/c18-17(16-12-5-2-6-13-16)14-8-7-11-15-9-3-1-4-10-15/h1-6,8-10,12-14H,7,11H2/b14-8+
InChIKeyWSCWRSSILDQLBE-RIYZIHGNSA-N
MW236.31 g/mol
LogP4.06
Rot. Bonds5

About (E)-1,5-diphenylpent-2-en-1-one

(E)-1,5-diphenylpent-2-en-1-one (PubChem CID 10879121) has the molecular formula C17H16O and a molecular weight of 236.31 g/mol. Its IUPAC name is (E)-1,5-diphenylpent-2-en-1-one.

Molecular Properties

Compound Name(E)-1,5-diphenylpent-2-en-1-one
PubChem CID10879121
Molecular FormulaC17H16O
Molecular Weight236.31 g/mol
Exact Mass236.12
IUPAC Name(E)-1,5-diphenylpent-2-en-1-one
SMILESO=C(/C=C/CCc1ccccc1)c1ccccc1
InChIInChI=1S/C17H16O/c18-17(16-12-5-2-6-13-16)14-8-7-11-15-9-3-1-4-10-15/h1-6,8-10,12-14H,7,11H2/b14-8+
InChIKeyWSCWRSSILDQLBE-RIYZIHGNSA-N
XLogP4.06
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1,5-diphenylpent-2-en-1-one?
The IUPAC name of (E)-1,5-diphenylpent-2-en-1-one (CID 10879121) is (E)-1,5-diphenylpent-2-en-1-one.
What is the SMILES notation for (E)-1,5-diphenylpent-2-en-1-one?
The canonical SMILES for (E)-1,5-diphenylpent-2-en-1-one is O=C(/C=C/CCc1ccccc1)c1ccccc1.
What is the InChIKey of (E)-1,5-diphenylpent-2-en-1-one?
The InChIKey is WSCWRSSILDQLBE-RIYZIHGNSA-N. The full InChI is InChI=1S/C17H16O/c18-17(16-12-5-2-6-13-16)14-8-7-11-15-9-3-1-4-10-15/h1-6,8-10,12-14H,7,11H2/b14-8+.
What are the key properties of (E)-1,5-diphenylpent-2-en-1-one?
(E)-1,5-diphenylpent-2-en-1-one has a molecular weight of 236.31 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,5-diphenylpent-2-en-1-one is sourced from PubChem (CID 10879121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).