Q82766005

[object Object]
Name5-[2-(4-hydroxyphenyl)ethyl]-2-methoxyphenol
WikidataQ82766005
Mol. formulaC15H16O3
CAS registry number-
Mol. weight244.2863

Representations

Temporary LOTUS idLTS0056872
Name5-[2-(4-hydroxyphenyl)ethyl]-2-methoxyphenol
Canonical SMILESCOc1ccc(CCc2ccc(O)cc2)cc1O
2D SMILESCOc1ccc(CCc2ccc(O)cc2)cc1O
IUPAC name5-[2-(4-hydroxyphenyl)ethyl]-2-methoxyphenol
InChIInChI=1S/C15H16O3/c1-18-15-9-6-12(10-14(15)17)3-2-11-4-7-13(16)8-5-11/h4-10,16-17H,2-3H2,1H3
InChIKeyGUNRICIIRFLJKK-UHFFFAOYSA-N
Deep SMILEScould not be computed
Murcko Frameworkc1ccc(cc1)CCc2ccccc2

Organism taxonomy


DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Orchidaceae  Pholidota  Pholidota chinensis Wikidata logo
Ref:
Wikidata logo

Chemical ontology


PathwaySuperclassClass
Shikimates and PhenylpropanoidsStilbenoidsMonomeric stilbenes

Molecular Properties

Total atom number34
Heavy atom number18
Bond count19
Number of carbons15
Minimal number of rings2
Maximal number of rings2

Molecular Descriptors

NP-likeness score 1
Alogp3.71
Alogp213.76
Apol 39.4747
Bpol 19.4073
EccentricConnectivityIndexDescriptor 343
FmfDescriptor 0.7778
Fsp3 0.2
FragmentComplexityDescriptor 919.03
PetitjeanNumber 0.5
LipinskiRuleOf5Failures 0
WienerPathNumber698
Xlogp 3.203
ZagrebIndex 88
TopoPSA 49.69