2-(1-hydroxyprop-2-ynyl)phenol

C9H8O2 — CID 10953671

IUPAC2-(1-hydroxyprop-2-ynyl)phenol
SMILESC#CC(O)c1ccccc1O
InChIInChI=1S/C9H8O2/c1-2-8(10)7-5-3-4-6-9(7)11/h1,3-6,8,10-11H
InChIKeyZGEVEJIVAMKDIG-UHFFFAOYSA-N
MW148.16 g/mol
LogP1.06
Rot. Bonds1

About 2-(1-hydroxyprop-2-ynyl)phenol

2-(1-hydroxyprop-2-ynyl)phenol (PubChem CID 10953671) has the molecular formula C9H8O2 and a molecular weight of 148.16 g/mol. Its IUPAC name is 2-(1-hydroxyprop-2-ynyl)phenol.

Molecular Properties

Compound Name2-(1-hydroxyprop-2-ynyl)phenol
PubChem CID10953671
Molecular FormulaC9H8O2
Molecular Weight148.16 g/mol
Exact Mass148.05
IUPAC Name2-(1-hydroxyprop-2-ynyl)phenol
SMILESC#CC(O)c1ccccc1O
InChIInChI=1S/C9H8O2/c1-2-8(10)7-5-3-4-6-9(7)11/h1,3-6,8,10-11H
InChIKeyZGEVEJIVAMKDIG-UHFFFAOYSA-N
XLogP1.06
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(1-hydroxyprop-2-ynyl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxyprop-2-ynyl)phenol?
The IUPAC name of 2-(1-hydroxyprop-2-ynyl)phenol (CID 10953671) is 2-(1-hydroxyprop-2-ynyl)phenol.
What is the SMILES notation for 2-(1-hydroxyprop-2-ynyl)phenol?
The canonical SMILES for 2-(1-hydroxyprop-2-ynyl)phenol is C#CC(O)c1ccccc1O.
What is the InChIKey of 2-(1-hydroxyprop-2-ynyl)phenol?
The InChIKey is ZGEVEJIVAMKDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O2/c1-2-8(10)7-5-3-4-6-9(7)11/h1,3-6,8,10-11H.
What are the key properties of 2-(1-hydroxyprop-2-ynyl)phenol?
2-(1-hydroxyprop-2-ynyl)phenol has a molecular weight of 148.16 g/mol, XLogP of 1.06, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxyprop-2-ynyl)phenol is sourced from PubChem (CID 10953671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).