2-Methyl-1-phenyl-3-butyne-1,2-diol

C₁₁H₁₂O₂CAS 2033-94-5176.21 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₁₂O₂
Molar mass: 176.21 g/mol
Exact mass: 176.0837 Da
Melting point: 62–65 °C
logP: 1.10Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2

Identifiers

CAS number

2033-94-5

SMILES

C#CC(C)(O)C(O)c1ccccc1

InChIKey

GQOXDWHRXDPZJK-UHFFFAOYSA-N

InChI

InChI=1S/C11H12O2/c1-3-11(2,13)10(12)9-7-5-4-6-8-9/h1,4-8,10,12-13H,2H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names

3-Butyne-1,2-diol, 2-methyl-1-phenyl-
Centalun
3-Methyl-3,4-dihydroxy-4-phenyl-1-butyne

Work with 2-Methyl-1-phenyl-3-butyne-1,2-diol

Predict the NMR spectrum1H and 13C shifts with multiplicities Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Same formula

Ethyl cinnamate103-36-6 Cinnamyl acetate103-54-8 6-Methoxy-1-tetralone1078-19-9 5,6,7,8-Tetrahydro-2-naphthoic acid1131-63-1 Allyl phenylacetate1797-74-6 (+)-1,2,3,4-Tetrahydronaphthalene-1-carboxylic acid23357-47-3 6-Methoxy-2-tetralone2472-22-2 Benzyl methacrylate2495-37-6

Elsewhere

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