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

C17H16O — CID 14568344

IUPAC(E)-1,2-diphenylpent-2-en-1-one
SMILESCC/C=C(/C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H16O/c1-2-9-16(14-10-5-3-6-11-14)17(18)15-12-7-4-8-13-15/h3-13H,2H2,1H3/b16-9+
InChIKeyPVUXWWNQAPJIPG-CXUHLZMHSA-N
MW236.31 g/mol
LogP4.36
Rot. Bonds4

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

(E)-1,2-diphenylpent-2-en-1-one (PubChem CID 14568344) has the molecular formula C17H16O and a molecular weight of 236.31 g/mol. Its IUPAC name is (E)-1,2-diphenylpent-2-en-1-one.

Molecular Properties

Compound Name(E)-1,2-diphenylpent-2-en-1-one
PubChem CID14568344
Molecular FormulaC17H16O
Molecular Weight236.31 g/mol
Exact Mass236.12
IUPAC Name(E)-1,2-diphenylpent-2-en-1-one
SMILESCC/C=C(/C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H16O/c1-2-9-16(14-10-5-3-6-11-14)17(18)15-12-7-4-8-13-15/h3-13H,2H2,1H3/b16-9+
InChIKeyPVUXWWNQAPJIPG-CXUHLZMHSA-N
XLogP4.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 54.36
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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Related Compounds

2-hydroxy-1-phenylpent-2-en-1-one
CID 154192343
3-phenylhex-3-en-2-one
CID 130637770
2-methyl-1-phenylpent-2-en-1-one
CID 130638834
ethyl 2-phenylpent-2-enoate
CID 148550128
(E)-1-phenyl-2-phenylsulfanylpent-2-en-1-one
CID 11254187
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
(E)-1,2-diphenyl-3-triethylsilyloxyprop-2-en-1-one
CID 132579303
(Z)-2-(4-chlorophenyl)selanyl-1-phenylpent-2-en-1-one
CID 139265077
2-methylidene-1-phenylbutan-1-one
CID 11788458
(Z)-1,2,4-triphenylbut-2-ene-1,4-dione
CID 5369696
3-(dimethylamino)-1,2-diphenylprop-2-en-1-one;ethane
CID 90689450
(Z)-2-methylidene-3-phenylhex-3-enenitrile
CID 167310558

Frequently Asked Questions

What is the IUPAC name of (E)-1,2-diphenylpent-2-en-1-one?
The IUPAC name of (E)-1,2-diphenylpent-2-en-1-one (CID 14568344) is (E)-1,2-diphenylpent-2-en-1-one.
What is the SMILES notation for (E)-1,2-diphenylpent-2-en-1-one?
The canonical SMILES for (E)-1,2-diphenylpent-2-en-1-one is CC/C=C(/C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-1,2-diphenylpent-2-en-1-one?
The InChIKey is PVUXWWNQAPJIPG-CXUHLZMHSA-N. The full InChI is InChI=1S/C17H16O/c1-2-9-16(14-10-5-3-6-11-14)17(18)15-12-7-4-8-13-15/h3-13H,2H2,1H3/b16-9+.
What are the key properties of (E)-1,2-diphenylpent-2-en-1-one?
(E)-1,2-diphenylpent-2-en-1-one has a molecular weight of 236.31 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,2-diphenylpent-2-en-1-one is sourced from PubChem (CID 14568344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).