Tolylpent-1-yn-4-ol

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Basic information

CAS: 57355-73-4
Standard SMILES: Cc1ccc(C#CCC(C)O)cc1
InChIKey: BDNSYEJAHWAINU-UHFFFAOYSA-N
Molecular formula: C12H14O
Average molar mass: 174.24 g/mol
Monoisotopic mass: 174.10446507

Names & identifiers

Preferred name: Tolylpent-1-yn-4-ol
IUPAC: 5-(4-methylphenyl)pent-4-yn-2-ol

Names & synonyms

Tolylpent-1-yn-4-ol5-(4-methylphenyl)pent-4-yn-2-ol57355-73-44-Pentyn-2-ol, 5-(4-methylphenyl)-DTXSID60342514BDNSYEJAHWAINU-UHFFFAOYSA-N5-(4-Methylphenyl)-4-pentyn-2-ol #

Database identifiers

CAS: 57355-73-4
PubChem CID: 582579
DTXSID: DTXSID60342514

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 200

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Compound notes

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