Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:131360 - 2-phenyl-1,2-propanediol
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
2-phenyl-1,2-propanediol
ChEBI ID
CHEBI:131360
Definition
A glycol that is cumene carrying two hydroxy substituents at positions 1 and 2
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C9H12O2
Net Charge
0
Average Mass
152.191
Monoisotopic Mass
152.08373
InChI
InChI=1S/C9H12O2/c1-9(11,7-10)8-5-3-2-4-6-8/h2-6,10-11H,7H2,1H3
InChIKey
LNCZPZFNQQFXPT-UHFFFAOYSA-N
SMILES
C=1(C(CO)(O)C)C=CC=CC1
Metabolite of Species
Details
Mus musculus
(NCBI:txid10090)
See:
MetaboLights Study
Homo sapiens
(NCBI:txid9606)
See:
PubMed
ChEBI Ontology
Outgoing
2-phenyl-1,2-propanediol (
CHEBI:131360
)
has parent hydride
cumene (
CHEBI:34656
)
2-phenyl-1,2-propanediol (
CHEBI:131360
)
is a
benzenes (
CHEBI:22712
)
2-phenyl-1,2-propanediol (
CHEBI:131360
)
is a
glycol (
CHEBI:13643
)
IUPAC Name
2-phenylpropane-1,2-diol
Synonyms
Sources
1,2-dihydroxy-2-phenylpropane
ChEBI
1,2-dihydroxycumene
ChEBI
Registry Numbers
Types
Sources
1936625
Reaxys Registry Number
Reaxys
4217-66-7
CAS Registry Number
ChemIDplus
Last Modified
28 July 2016