1-phenylprop-2-yn-1-ol

C9H8O — CID 20155

IUPAC1-phenylprop-2-yn-1-ol
SMILESC#CC(O)c1ccccc1
InChIInChI=1S/C9H8O/c1-2-9(10)8-6-4-3-5-7-8/h1,3-7,9-10H
InChIKeyUIGLAZDLBZDVBL-UHFFFAOYSA-N
MW132.16 g/mol
LogP1.35
Rot. Bonds1

About 1-phenylprop-2-yn-1-ol

1-phenylprop-2-yn-1-ol (PubChem CID 20155) has the molecular formula C9H8O and a molecular weight of 132.16 g/mol. Its IUPAC name is 1-phenylprop-2-yn-1-ol.

Molecular Properties

Compound Name1-phenylprop-2-yn-1-ol
PubChem CID20155
Molecular FormulaC9H8O
Molecular Weight132.16 g/mol
Exact Mass132.06
IUPAC Name1-phenylprop-2-yn-1-ol
SMILESC#CC(O)c1ccccc1
InChIInChI=1S/C9H8O/c1-2-9(10)8-6-4-3-5-7-8/h1,3-7,9-10H
InChIKeyUIGLAZDLBZDVBL-UHFFFAOYSA-N
XLogP1.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 51.35
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-phenylprop-2-yn-1-ol?
The IUPAC name of 1-phenylprop-2-yn-1-ol (CID 20155) is 1-phenylprop-2-yn-1-ol.
What is the SMILES notation for 1-phenylprop-2-yn-1-ol?
The canonical SMILES for 1-phenylprop-2-yn-1-ol is C#CC(O)c1ccccc1.
What is the InChIKey of 1-phenylprop-2-yn-1-ol?
The InChIKey is UIGLAZDLBZDVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O/c1-2-9(10)8-6-4-3-5-7-8/h1,3-7,9-10H.
What are the key properties of 1-phenylprop-2-yn-1-ol?
1-phenylprop-2-yn-1-ol has a molecular weight of 132.16 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylprop-2-yn-1-ol is sourced from PubChem (CID 20155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).