(Z)-3,4-diphenylbut-3-en-2-one

C16H14O — CID 5383392

IUPAC(Z)-3,4-diphenylbut-3-en-2-one
SMILESCC(=O)/C(=C\c1ccccc1)c1ccccc1
InChIInChI=1S/C16H14O/c1-13(17)16(15-10-6-3-7-11-15)12-14-8-4-2-5-9-14/h2-12H,1H3/b16-12+
InChIKeyPXTNHINUEHWZIX-FOWTUZBSSA-N
MW222.29 g/mol
LogP3.82
Rot. Bonds3

About (Z)-3,4-diphenylbut-3-en-2-one

(Z)-3,4-diphenylbut-3-en-2-one (PubChem CID 5383392) has the molecular formula C16H14O and a molecular weight of 222.29 g/mol. Its IUPAC name is (Z)-3,4-diphenylbut-3-en-2-one.

Molecular Properties

Compound Name(Z)-3,4-diphenylbut-3-en-2-one
PubChem CID5383392
Molecular FormulaC16H14O
Molecular Weight222.29 g/mol
Exact Mass222.10
IUPAC Name(Z)-3,4-diphenylbut-3-en-2-one
SMILESCC(=O)/C(=C\c1ccccc1)c1ccccc1
InChIInChI=1S/C16H14O/c1-13(17)16(15-10-6-3-7-11-15)12-14-8-4-2-5-9-14/h2-12H,1H3/b16-12+
InChIKeyPXTNHINUEHWZIX-FOWTUZBSSA-N
XLogP3.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3,4-diphenylbut-3-en-2-one?
The IUPAC name of (Z)-3,4-diphenylbut-3-en-2-one (CID 5383392) is (Z)-3,4-diphenylbut-3-en-2-one.
What is the SMILES notation for (Z)-3,4-diphenylbut-3-en-2-one?
The canonical SMILES for (Z)-3,4-diphenylbut-3-en-2-one is CC(=O)/C(=C\c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-3,4-diphenylbut-3-en-2-one?
The InChIKey is PXTNHINUEHWZIX-FOWTUZBSSA-N. The full InChI is InChI=1S/C16H14O/c1-13(17)16(15-10-6-3-7-11-15)12-14-8-4-2-5-9-14/h2-12H,1H3/b16-12+.
What are the key properties of (Z)-3,4-diphenylbut-3-en-2-one?
(Z)-3,4-diphenylbut-3-en-2-one has a molecular weight of 222.29 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3,4-diphenylbut-3-en-2-one is sourced from PubChem (CID 5383392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).