(E)-5-phenylpent-2-en-4-yn-1-ol

C11H10O — CID 5463198

IUPAC(E)-5-phenylpent-2-en-4-yn-1-ol
SMILESOC/C=C/C#Cc1ccccc1
InChIInChI=1S/C11H10O/c12-10-6-2-5-9-11-7-3-1-4-8-11/h1-4,6-8,12H,10H2/b6-2+
InChIKeyJSNIMQCVEHRHSB-QHHAFSJGSA-N
MW158.20 g/mol
LogP1.59
Rot. Bonds1

About (E)-5-phenylpent-2-en-4-yn-1-ol

(E)-5-phenylpent-2-en-4-yn-1-ol (PubChem CID 5463198) has the molecular formula C11H10O and a molecular weight of 158.20 g/mol. Its IUPAC name is (E)-5-phenylpent-2-en-4-yn-1-ol.

Molecular Properties

Compound Name(E)-5-phenylpent-2-en-4-yn-1-ol
PubChem CID5463198
Molecular FormulaC11H10O
Molecular Weight158.20 g/mol
Exact Mass158.07
IUPAC Name(E)-5-phenylpent-2-en-4-yn-1-ol
SMILESOC/C=C/C#Cc1ccccc1
InChIInChI=1S/C11H10O/c12-10-6-2-5-9-11-7-3-1-4-8-11/h1-4,6-8,12H,10H2/b6-2+
InChIKeyJSNIMQCVEHRHSB-QHHAFSJGSA-N
XLogP1.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-5-phenylpent-2-en-4-yn-1-ol?
The IUPAC name of (E)-5-phenylpent-2-en-4-yn-1-ol (CID 5463198) is (E)-5-phenylpent-2-en-4-yn-1-ol.
What is the SMILES notation for (E)-5-phenylpent-2-en-4-yn-1-ol?
The canonical SMILES for (E)-5-phenylpent-2-en-4-yn-1-ol is OC/C=C/C#Cc1ccccc1.
What is the InChIKey of (E)-5-phenylpent-2-en-4-yn-1-ol?
The InChIKey is JSNIMQCVEHRHSB-QHHAFSJGSA-N. The full InChI is InChI=1S/C11H10O/c12-10-6-2-5-9-11-7-3-1-4-8-11/h1-4,6-8,12H,10H2/b6-2+.
What are the key properties of (E)-5-phenylpent-2-en-4-yn-1-ol?
(E)-5-phenylpent-2-en-4-yn-1-ol has a molecular weight of 158.20 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-phenylpent-2-en-4-yn-1-ol is sourced from PubChem (CID 5463198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).