1-phenylpent-1-yn-3-ol

C11H12O — CID 11789508

IUPAC1-phenylpent-1-yn-3-ol
SMILESCCC(O)C#Cc1ccccc1
InChIInChI=1S/C11H12O/c1-2-11(12)9-8-10-6-4-3-5-7-10/h3-7,11-12H,2H2,1H3
InChIKeyQWCMSASONHVIHV-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.81
Rot. Bonds1

About 1-phenylpent-1-yn-3-ol

1-phenylpent-1-yn-3-ol (PubChem CID 11789508) has the molecular formula C11H12O and a molecular weight of 160.22 g/mol. Its IUPAC name is 1-phenylpent-1-yn-3-ol.

Molecular Properties

Compound Name1-phenylpent-1-yn-3-ol
PubChem CID11789508
Molecular FormulaC11H12O
Molecular Weight160.22 g/mol
Exact Mass160.09
IUPAC Name1-phenylpent-1-yn-3-ol
SMILESCCC(O)C#Cc1ccccc1
InChIInChI=1S/C11H12O/c1-2-11(12)9-8-10-6-4-3-5-7-10/h3-7,11-12H,2H2,1H3
InChIKeyQWCMSASONHVIHV-UHFFFAOYSA-N
XLogP1.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.81
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 1-phenylpent-1-yn-3-ol?
The IUPAC name of 1-phenylpent-1-yn-3-ol (CID 11789508) is 1-phenylpent-1-yn-3-ol.
What is the SMILES notation for 1-phenylpent-1-yn-3-ol?
The canonical SMILES for 1-phenylpent-1-yn-3-ol is CCC(O)C#Cc1ccccc1.
What is the InChIKey of 1-phenylpent-1-yn-3-ol?
The InChIKey is QWCMSASONHVIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O/c1-2-11(12)9-8-10-6-4-3-5-7-10/h3-7,11-12H,2H2,1H3.
What are the key properties of 1-phenylpent-1-yn-3-ol?
1-phenylpent-1-yn-3-ol has a molecular weight of 160.22 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylpent-1-yn-3-ol is sourced from PubChem (CID 11789508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).