Q76303514

[object Object]
Name(2e)-3-(2-hydroxyphenyl)prop-2-enal
WikidataQ76303514
Mol. formulaC9H8O2
CAS registry number-
Mol. weight148.159

Representations

Temporary LOTUS idLTS0196725
Name(2e)-3-(2-hydroxyphenyl)prop-2-enal
Canonical SMILESO=C/C=C/c1ccccc1O
2D SMILESO=CC=Cc1ccccc1O
IUPAC name(2E)-3-(2-hydroxyphenyl)prop-2-enal
InChIInChI=1S/C9H8O2/c10-7-3-5-8-4-1-2-6-9(8)11/h1-7,11H/b5-3+
InChIKeyBSDNZCQPDVTDET-HWKANZROSA-N
Deep SMILEScould not be computed
Murcko Frameworkc1ccccc1

Organism taxonomy


DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Lauraceae  Cinnamomum  Cinnamomum aromaticum Wikidata logo
Ref:
Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Lauraceae  Cryptocarya  Cryptocarya amygdalina Wikidata logo
Ref:
Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Lauraceae  Cinnamomum  Cinnamomum aromaticum Wikidata logo
Ref:
Wikidata logo

Chemical ontology


PathwaySuperclassClass
Shikimates and PhenylpropanoidsPhenylpropanoids (C6-C3)Cinnamic acids and derivatives

Molecular Properties

Total atom number19
Heavy atom number11
Bond count11
Number of carbons9
Minimal number of rings1
Maximal number of rings1

Molecular Descriptors

NP-likeness score 1
Alogp1.68
Alogp22.83
Apol 22.7783
Bpol 9.7037
EccentricConnectivityIndexDescriptor 118
FmfDescriptor 0.5455
Fsp3 0
FragmentComplexityDescriptor 251.02
PetitjeanNumber 0.4286
LipinskiRuleOf5Failures 0
WienerPathNumber166
Xlogp 1.584
ZagrebIndex 48
TopoPSA 37.3