4-but-3-en-1-ynylphenol

C10H8O — CID 71362981

IUPAC4-but-3-en-1-ynylphenol
SMILESC=CC#Cc1ccc(O)cc1
InChIInChI=1S/C10H8O/c1-2-3-4-9-5-7-10(11)8-6-9/h2,5-8,11H,1H2
InChIKeyZHFFALGLSCREJF-UHFFFAOYSA-N
MW144.17 g/mol
LogP1.93
Rot. Bonds

About 4-but-3-en-1-ynylphenol

4-but-3-en-1-ynylphenol (PubChem CID 71362981) has the molecular formula C10H8O and a molecular weight of 144.17 g/mol. Its IUPAC name is 4-but-3-en-1-ynylphenol.

Molecular Properties

Compound Name4-but-3-en-1-ynylphenol
PubChem CID71362981
Molecular FormulaC10H8O
Molecular Weight144.17 g/mol
Exact Mass144.06
IUPAC Name4-but-3-en-1-ynylphenol
SMILESC=CC#Cc1ccc(O)cc1
InChIInChI=1S/C10H8O/c1-2-3-4-9-5-7-10(11)8-6-9/h2,5-8,11H,1H2
InChIKeyZHFFALGLSCREJF-UHFFFAOYSA-N
XLogP1.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 51.93
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 4-but-3-en-1-ynylphenol?
The IUPAC name of 4-but-3-en-1-ynylphenol (CID 71362981) is 4-but-3-en-1-ynylphenol.
What is the SMILES notation for 4-but-3-en-1-ynylphenol?
The canonical SMILES for 4-but-3-en-1-ynylphenol is C=CC#Cc1ccc(O)cc1.
What is the InChIKey of 4-but-3-en-1-ynylphenol?
The InChIKey is ZHFFALGLSCREJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O/c1-2-3-4-9-5-7-10(11)8-6-9/h2,5-8,11H,1H2.
What are the key properties of 4-but-3-en-1-ynylphenol?
4-but-3-en-1-ynylphenol has a molecular weight of 144.17 g/mol, XLogP of 1.93, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-en-1-ynylphenol is sourced from PubChem (CID 71362981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).