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

4-(2,4-Dihydroxyphenyl)cyclohexanone

HCID 9942489
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C1CCC(c2ccc(O)cc2O)CC1
InChIKey
OFMGTSMXUQYLMA-UHFFFAOYSA-N
Molecular formula
C12H14O3
Average molar mass
206.24 g/mol

Names & identifiers

Preferred name
4-(2,4-Dihydroxyphenyl)cyclohexanone
IUPAC
4-(2,4-dihydroxyphenyl)cyclohexan-1-one

Names & synonyms

4-(2,4-Dihydroxyphenyl)cyclohexanoneSCHEMBL5360683OFMGTSMXUQYLMA-UHFFFAOYSA-N4-(2,4Dihydroxyphenyl)cyclohexanone

Database identifiers

PubChem CID
9942489

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
57.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
15
Formal charge
0
Complexity
229

Related reactions

25 records
New reaction record
HRID 23601 reaction equation
HRID 23601As productuspto-grants-2005_02
HRID 346818 reaction equation
HRID 346818As productuspto-grants-2007_02
HRID 585680 reaction equation
HRID 585680As reactantuspto-grants-2005_08
HRID 585685 reaction equation
HRID 585685As productuspto-grants-2005_08
HRID 585686 reaction equation
HRID 585686As productuspto-grants-2005_08
HRID 585687 reaction equation
HRID 585687As reactantuspto-grants-2005_08
HRID 585688 reaction equation
HRID 585688As reactantuspto-grants-2005_08
HRID 691287 reaction equation
HRID 691287As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
Page 1 of 4

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes