chempirical

1,3,5-Benzenetrimethanol

C9H12O3CAS 4464-18-0168.19 g/mol

Open in Covalent MOL file
HOOHOH
Alcohol

Properties

Molecular formula
C9H12O3
Molar mass
168.19 g/mol
Exact mass
168.0786 Da
logP
0.16Crippen estimate
Polar surface area
60.7 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
3

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
4464-18-0
SMILES
C1=C(C=C(C=C1CO)CO)CO
InChIKey
SQAMZFDWYRVIMG-UHFFFAOYSA-N
InChI
InChI=1S/C9H12O3/c10-4-7-1-8(5-11)3-9(2-7)6-12/h1-3,10-12H,4-6H2

Weigh it out

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

Work with 1,3,5-Benzenetrimethanol

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-Benzenedimethanol626-18-665 % similar 3,5-Dihydroxybenzyl alcohol29654-55-561 % similar 1,4-Benzenedimethanol589-29-760 % similar (3,5-Dibromophenyl)methanol145691-59-458 % similar 3,5-Dimethylbenzyl alcohol27129-87-958 % similar 3,5-Dichlorobenzyl alcohol60211-57-658 % similar 3,5-Difluorobenzyl alcohol79538-20-858 % similar 2,6-Dichloro-4-pyridinemethanol101990-69-652 % similar

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

Same formula

Ethyl 2-furanpropanoate10031-90-0 1,2,4-Trimethoxybenzene135-77-3 Rikacid MH19438-60-9 Homovanillyl alcohol2380-78-1 Methylhexahydrophthalic anhydride25550-51-0 2,5-Dimethoxybenzyl alcohol33524-31-1 3-Phenoxy-1,2-propanediol538-43-2 2,3-Dimethoxybenzyl alcohol5653-67-8

Elsewhere

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