(E)-4-hydroxy-1,3-diphenylbut-3-en-2-one

C16H14O2 — CID 21320938

IUPAC(E)-4-hydroxy-1,3-diphenylbut-3-en-2-one
SMILESO=C(Cc1ccccc1)/C(=C/O)c1ccccc1
InChIInChI=1S/C16H14O2/c17-12-15(14-9-5-2-6-10-14)16(18)11-13-7-3-1-4-8-13/h1-10,12,17H,11H2/b15-12+
InChIKeyXAZVEMDHZARSQH-NTCAYCPXSA-N
MW238.29 g/mol
LogP3.40
Rot. Bonds4

About (E)-4-hydroxy-1,3-diphenylbut-3-en-2-one

(E)-4-hydroxy-1,3-diphenylbut-3-en-2-one (PubChem CID 21320938) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is (E)-4-hydroxy-1,3-diphenylbut-3-en-2-one.

Molecular Properties

Compound Name(E)-4-hydroxy-1,3-diphenylbut-3-en-2-one
PubChem CID21320938
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Name(E)-4-hydroxy-1,3-diphenylbut-3-en-2-one
SMILESO=C(Cc1ccccc1)/C(=C/O)c1ccccc1
InChIInChI=1S/C16H14O2/c17-12-15(14-9-5-2-6-10-14)16(18)11-13-7-3-1-4-8-13/h1-10,12,17H,11H2/b15-12+
InChIKeyXAZVEMDHZARSQH-NTCAYCPXSA-N
XLogP3.40
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_D(5)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-4-hydroxy-1,3-diphenylbut-3-en-2-one?
The IUPAC name of (E)-4-hydroxy-1,3-diphenylbut-3-en-2-one (CID 21320938) is (E)-4-hydroxy-1,3-diphenylbut-3-en-2-one.
What is the SMILES notation for (E)-4-hydroxy-1,3-diphenylbut-3-en-2-one?
The canonical SMILES for (E)-4-hydroxy-1,3-diphenylbut-3-en-2-one is O=C(Cc1ccccc1)/C(=C/O)c1ccccc1.
What is the InChIKey of (E)-4-hydroxy-1,3-diphenylbut-3-en-2-one?
The InChIKey is XAZVEMDHZARSQH-NTCAYCPXSA-N. The full InChI is InChI=1S/C16H14O2/c17-12-15(14-9-5-2-6-10-14)16(18)11-13-7-3-1-4-8-13/h1-10,12,17H,11H2/b15-12+.
What are the key properties of (E)-4-hydroxy-1,3-diphenylbut-3-en-2-one?
(E)-4-hydroxy-1,3-diphenylbut-3-en-2-one has a molecular weight of 238.29 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-hydroxy-1,3-diphenylbut-3-en-2-one is sourced from PubChem (CID 21320938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).