(E)-5-hydroxy-5,5-diphenylpent-3-en-2-one

C17H16O2 — CID 6268425

IUPAC(E)-5-hydroxy-5,5-diphenylpent-3-en-2-one
SMILESCC(=O)/C=C/C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H16O2/c1-14(18)12-13-17(19,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-13,19H,1H3/b13-12+
InChIKeyPWZRAFYSCJFGJW-OUKQBFOZSA-N
MW252.31 g/mol
LogP3.07
Rot. Bonds4

About (E)-5-hydroxy-5,5-diphenylpent-3-en-2-one

(E)-5-hydroxy-5,5-diphenylpent-3-en-2-one (PubChem CID 6268425) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is (E)-5-hydroxy-5,5-diphenylpent-3-en-2-one.

Molecular Properties

Compound Name(E)-5-hydroxy-5,5-diphenylpent-3-en-2-one
PubChem CID6268425
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name(E)-5-hydroxy-5,5-diphenylpent-3-en-2-one
SMILESCC(=O)/C=C/C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H16O2/c1-14(18)12-13-17(19,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-13,19H,1H3/b13-12+
InChIKeyPWZRAFYSCJFGJW-OUKQBFOZSA-N
XLogP3.07
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-5-hydroxy-5,5-diphenylpent-3-en-2-one?
The IUPAC name of (E)-5-hydroxy-5,5-diphenylpent-3-en-2-one (CID 6268425) is (E)-5-hydroxy-5,5-diphenylpent-3-en-2-one.
What is the SMILES notation for (E)-5-hydroxy-5,5-diphenylpent-3-en-2-one?
The canonical SMILES for (E)-5-hydroxy-5,5-diphenylpent-3-en-2-one is CC(=O)/C=C/C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-5-hydroxy-5,5-diphenylpent-3-en-2-one?
The InChIKey is PWZRAFYSCJFGJW-OUKQBFOZSA-N. The full InChI is InChI=1S/C17H16O2/c1-14(18)12-13-17(19,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-13,19H,1H3/b13-12+.
What are the key properties of (E)-5-hydroxy-5,5-diphenylpent-3-en-2-one?
(E)-5-hydroxy-5,5-diphenylpent-3-en-2-one has a molecular weight of 252.31 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-hydroxy-5,5-diphenylpent-3-en-2-one is sourced from PubChem (CID 6268425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).