4-methylphenol;prop-1-yne

C10H12O — CID 158792009

IUPAC4-methylphenol;prop-1-yne
SMILESC#CC.Cc1ccc(O)cc1
InChIInChI=1S/C7H8O.C3H4/c1-6-2-4-7(8)5-3-6;1-3-2/h2-5,8H,1H3;1H,2H3
InChIKeyISJYLNPHINPZKC-UHFFFAOYSA-N
MW148.20 g/mol
LogP2.34
Rot. Bonds

About 4-methylphenol;prop-1-yne

4-methylphenol;prop-1-yne (PubChem CID 158792009) has the molecular formula C10H12O and a molecular weight of 148.20 g/mol. Its IUPAC name is 4-methylphenol;prop-1-yne.

Molecular Properties

Compound Name4-methylphenol;prop-1-yne
PubChem CID158792009
Molecular FormulaC10H12O
Molecular Weight148.20 g/mol
Exact Mass148.09
IUPAC Name4-methylphenol;prop-1-yne
SMILESC#CC.Cc1ccc(O)cc1
InChIInChI=1S/C7H8O.C3H4/c1-6-2-4-7(8)5-3-6;1-3-2/h2-5,8H,1H3;1H,2H3
InChIKeyISJYLNPHINPZKC-UHFFFAOYSA-N
XLogP2.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 52.34
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-methylphenol;prop-1-yne?
The IUPAC name of 4-methylphenol;prop-1-yne (CID 158792009) is 4-methylphenol;prop-1-yne.
What is the SMILES notation for 4-methylphenol;prop-1-yne?
The canonical SMILES for 4-methylphenol;prop-1-yne is C#CC.Cc1ccc(O)cc1.
What is the InChIKey of 4-methylphenol;prop-1-yne?
The InChIKey is ISJYLNPHINPZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O.C3H4/c1-6-2-4-7(8)5-3-6;1-3-2/h2-5,8H,1H3;1H,2H3.
What are the key properties of 4-methylphenol;prop-1-yne?
4-methylphenol;prop-1-yne has a molecular weight of 148.20 g/mol, XLogP of 2.34, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylphenol;prop-1-yne is sourced from PubChem (CID 158792009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).