1,1-Bis(4-methoxyphenyl)prop-2-yn-1-ol

C₁₇H₁₆O₃CAS 101597-25-5268.31 g/mol

Open in Covalent MOL file

Alcohol Alkyne Ether

Properties

Molecular formula: C₁₇H₁₆O₃
Molar mass: 268.31 g/mol
Exact mass: 268.1099 Da
logP: 2.57Crippen estimate
Polar surface area: 38.7 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 4

Identifiers

CAS number

101597-25-5

SMILES

COC1=CC=C(C=C1)C(C#C)(C2=CC=C(C=C2)OC)O

InChIKey

RFNDMLXNYMQMGN-UHFFFAOYSA-N

InChI

InChI=1S/C17H16O3/c1-4-17(18,13-5-9-15(19-2)10-6-13)14-7-11-16(20-3)12-8-14/h1,5-12,18H,2-3H3

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Names and synonyms

1 names

1,1-Bis(4-methoxyphenyl)-2-propyn-1-ol

Work with 1,1-Bis(4-methoxyphenyl)prop-2-yn-1-ol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,1-Diphenyl-2-propyn-1-ol3923-52-255 % similar 4-tert-Butylanisole5396-38-347 % similar 1-Ethynyl-4-methoxybenzene768-60-545 % similar 1,4-Dimethoxybenzene150-78-744 % similar 4-Methoxyphenol150-76-541 % similar 4-Methoxytrityl chloride14470-28-141 % similar 4,4′-Dimethoxytrityl chloride40615-36-941 % similar 1-(4-Methoxyphenyl)cyclopropanecarboxylic acid16728-01-139 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4,4′-Dimethoxychalcone2373-89-9 Polyethylene glycol o-phenylphenyl ether acrylate72009-86-0

Elsewhere

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