2-prop-2-ynylphenol

C9H8O — CID 11658299

IUPAC2-prop-2-ynylphenol
SMILESC#CCc1ccccc1O
InChIInChI=1S/C9H8O/c1-2-5-8-6-3-4-7-9(8)10/h1,3-4,6-7,10H,5H2
InChIKeyZHDGEEPULWOWON-UHFFFAOYSA-N
MW132.16 g/mol
LogP1.57
Rot. Bonds1

About 2-prop-2-ynylphenol

2-prop-2-ynylphenol (PubChem CID 11658299) has the molecular formula C9H8O and a molecular weight of 132.16 g/mol. Its IUPAC name is 2-prop-2-ynylphenol.

Molecular Properties

Compound Name2-prop-2-ynylphenol
PubChem CID11658299
Molecular FormulaC9H8O
Molecular Weight132.16 g/mol
Exact Mass132.06
IUPAC Name2-prop-2-ynylphenol
SMILESC#CCc1ccccc1O
InChIInChI=1S/C9H8O/c1-2-5-8-6-3-4-7-9(8)10/h1,3-4,6-7,10H,5H2
InChIKeyZHDGEEPULWOWON-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
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 2-prop-2-ynylphenol?
The IUPAC name of 2-prop-2-ynylphenol (CID 11658299) is 2-prop-2-ynylphenol.
What is the SMILES notation for 2-prop-2-ynylphenol?
The canonical SMILES for 2-prop-2-ynylphenol is C#CCc1ccccc1O.
What is the InChIKey of 2-prop-2-ynylphenol?
The InChIKey is ZHDGEEPULWOWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O/c1-2-5-8-6-3-4-7-9(8)10/h1,3-4,6-7,10H,5H2.
What are the key properties of 2-prop-2-ynylphenol?
2-prop-2-ynylphenol has a molecular weight of 132.16 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-ynylphenol is sourced from PubChem (CID 11658299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).