HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program:[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

3-(Hydroxymethyl)-5-methoxyphenol

HCID 592986
NotesReactions
Basic informationOverviewNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
30891-29-3
Standard SMILES
COc1cc(O)cc(CO)c1
InChIKey
OANKJSUXMPAWAT-UHFFFAOYSA-N
Molecular formula
C8H10O3
Average molar mass
154.16 g/mol
Monoisotopic mass
154.06299418

Overview

Sylvopinol is a member of phenols and a member of methoxybenzenes.

Names & identifiers

Preferred name
3-(Hydroxymethyl)-5-methoxyphenol
IUPAC
3-(hydroxymethyl)-5-methoxyphenol
English name
5-Hydroxy-3-methoxybenzyl alcohol
Molecular formula
C8H10O3
Molecular weight
154.16

Names & synonyms

3-(Hydroxymethyl)-5-methoxyphenolSylvopinol30891-29-35-Hydroxy-3-methoxybenzyl alcohol3-hydroxy-5-methoxybenzenemethanol3-hydroxy-5-methoxybenzyl alcoholSCHEMBL16503663-hydroxymethyl-5-methoxyphenolSCHEMBL29389280CHEBI:173658DTXSID2012970943-(hydroxymethyl)-5-methoxy-phenol
Show more names
3-(Hydroxymethyl)-5-methoxyphenol #Benzenemethanol, 3-hydroxy-5-methoxy-CS-0378441

Database identifiers

CAS
30891-29-3
PubChem CID
592986
DTXSID
DTXSID201297094
ChEBI
CHEBI:173658
Nikkaji
J20.106E

Properties

Computed structural properties

XLogP
0.7
Topological polar surface area
49.7 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
11
Formal charge
0
Complexity
116

Experimental & physicochemical properties

Melting Point85 - 86 °C
Physical DescriptionSolid

Physicochemical properties

Melting point
85 · 85-86 °C
Boiling point
345.6 · 345.6±27.0 °C(Predicted)
Density
1.226 · 1.226±0.06 g/cm3(Predicted)
pka
9.37 · 9.37±0.10(Predicted)

Chemistry & industry

Pharmacology

Cellular LocationsCytoplasm

Suppliers3 total

上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
宝鸡缔都医药化工有限公司029-029-81148929 17792602132 · [email protected]

Additional notes

DefinitionChEBI: Sylvopinol is a member of methoxybenzenes and a member of phenols.

Related reactions

3 records
New reaction record
HRID 676068 reaction equation
HRID 676068As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1176203 reaction equation
HRID 1176203As reactantuspto-grants-2010_11
HRID 1712241 reaction equation
HRID 1712241As reactantuspto-grants-2010_09

Compound notes

Loading…

On this pageBasic informationOverviewNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes