5-phenylpent-4-yn-1-ol

C11H12O — CID 11137434

IUPAC5-phenylpent-4-yn-1-ol
SMILESOCCCC#Cc1ccccc1
InChIInChI=1S/C11H12O/c12-10-6-2-5-9-11-7-3-1-4-8-11/h1,3-4,7-8,12H,2,6,10H2
InChIKeyQQBCRIBCSOQZFZ-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.81
Rot. Bonds2

About 5-phenylpent-4-yn-1-ol

5-phenylpent-4-yn-1-ol (PubChem CID 11137434) has the molecular formula C11H12O and a molecular weight of 160.22 g/mol. Its IUPAC name is 5-phenylpent-4-yn-1-ol.

Molecular Properties

Compound Name5-phenylpent-4-yn-1-ol
PubChem CID11137434
Molecular FormulaC11H12O
Molecular Weight160.22 g/mol
Exact Mass160.09
IUPAC Name5-phenylpent-4-yn-1-ol
SMILESOCCCC#Cc1ccccc1
InChIInChI=1S/C11H12O/c12-10-6-2-5-9-11-7-3-1-4-8-11/h1,3-4,7-8,12H,2,6,10H2
InChIKeyQQBCRIBCSOQZFZ-UHFFFAOYSA-N
XLogP1.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-phenylpent-4-yn-1-ol?
The IUPAC name of 5-phenylpent-4-yn-1-ol (CID 11137434) is 5-phenylpent-4-yn-1-ol.
What is the SMILES notation for 5-phenylpent-4-yn-1-ol?
The canonical SMILES for 5-phenylpent-4-yn-1-ol is OCCCC#Cc1ccccc1.
What is the InChIKey of 5-phenylpent-4-yn-1-ol?
The InChIKey is QQBCRIBCSOQZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O/c12-10-6-2-5-9-11-7-3-1-4-8-11/h1,3-4,7-8,12H,2,6,10H2.
What are the key properties of 5-phenylpent-4-yn-1-ol?
5-phenylpent-4-yn-1-ol has a molecular weight of 160.22 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylpent-4-yn-1-ol is sourced from PubChem (CID 11137434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).