cis-2-Phenyl-1,3-dioxan-5-ol

C₁₀H₁₂O₃CAS 4141-19-9180.20 g/mol

Open in Covalent MOL file

Acetal Alcohol Ether

Properties

Molecular formula: C₁₀H₁₂O₃
Molar mass: 180.20 g/mol
Exact mass: 180.0786 Da
logP: 1.09Crippen estimate
Polar surface area: 38.7 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

4141-19-9

SMILES

C1C(COC(O1)C2=CC=CC=C2)O

InChIKey

BWKDAAFSXYPQOS-UHFFFAOYSA-N

InChI

InChI=1S/C10H12O3/c11-9-6-12-10(13-7-9)8-4-2-1-3-5-8/h1-5,9-11H,6-7H2

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Names and synonyms

1 names

1,3-Dioxan-5-ol, 2-phenyl-

Work with cis-2-Phenyl-1,3-dioxan-5-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

1,3:4,6-Di-O-benzylidene-D-mannitol28224-73-956 % similar (Diethoxymethyl)benzene774-48-152 % similar 4-Methyl-2-phenyl-1,3-dioxolane2568-25-452 % similar 2-Phenyl-1,3-dioxane-5,5-dimethanol2425-41-448 % similar 1,3-Bis(phenylmethoxy)-2-propanol6972-79-848 % similar (+)-Styrene oxide20780-53-446 % similar (S)-Styrene oxide20780-54-546 % similar Styrene oxide96-09-346 % similar

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

Same formula

(R)-(+)-2-Benzyloxypropionic acid100836-85-9 Anisyl acetate104-21-2 3-(3-Methoxyphenyl)propionic acid10516-71-9 (-)-Ethyl mandelate10606-72-1 3-Ethoxy-4-methoxybenzaldehyde1131-52-8 3,4-Dimethoxyacetophenone1131-62-0 2',5'-Dimethoxyacetophenone1201-38-3 4-Ethoxy-3-methoxybenzaldehyde120-25-2

Elsewhere

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