2,3-Bis(hydroxymethyl)naphthalene

C₁₂H₁₂O₂CAS 31554-15-1188.23 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₁₂O₂
Molar mass: 188.23 g/mol
Exact mass: 188.0837 Da
logP: 1.82Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2

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

31554-15-1

SMILES

C1=CC=C2C=C(C(=CC2=C1)CO)CO

InChIKey

DTYJRRQQOLBRGH-UHFFFAOYSA-N

InChI

InChI=1S/C12H12O2/c13-7-11-5-9-3-1-2-4-10(9)6-12(11)8-14/h1-6,13-14H,7-8H2

Weigh it out

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

Work with 2,3-Bis(hydroxymethyl)naphthalene

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

1,2-Benzenedimethanol612-14-660 % similar 2-Naphthalenemethanol1592-38-756 % similar 1-Naphthalenemethanol4780-79-456 % similar 2-Chlorobenzyl alcohol17849-38-652 % similar 9-Anthracenemethanol1468-95-750 % similar 2-Bromobenzyl alcohol18982-54-248 % similar Salicyl alcohol90-01-748 % similar Anthracene120-12-747 % similar

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

Same formula

1,4-Dimethoxynaphthalene10075-62-4 2-Acetyl-1-tetralone17216-08-9 Allyl cinnamate1866-31-5 2,7-Dimethoxynaphthalene3469-26-9 1,6-Dimethoxynaphthalene3900-49-0 3-(Phenylmethylene)-2,4-pentanedione4335-90-4 5-Phenylcyclohexane-1,3-dione493-72-1 2,6-Dimethoxynaphthalene5486-55-5

Elsewhere

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