Q105191894

[object Object]
Name7-methoxy-2-phenyl-3-(prop-1-en-2-yl)-1,2,3,4-tetrahydronaphthalene-1,5-diol
WikidataQ105191894
Mol. formulaC20H22O3
CAS registry number-
Mol. weight310.3876

Representations

Temporary LOTUS idLTS0018544
Name7-methoxy-2-phenyl-3-(prop-1-en-2-yl)-1,2,3,4-tetrahydronaphthalene-1,5-diol
Canonical SMILESC=C(C)C1Cc2c(O)cc(OC)cc2C(O)C1c1ccccc1
2D SMILESC=C(C)C1Cc2c(O)cc(OC)cc2C(O)C1c1ccccc1
IUPAC name7-methoxy-2-phenyl-3-(prop-1-en-2-yl)-1,2,3,4-tetrahydronaphthalene-1,5-diol
InChIInChI=1S/C20H22O3/c1-12(2)15-11-16-17(9-14(23-3)10-18(16)21)20(22)19(15)13-7-5-4-6-8-13/h4-10,15,19-22H,1,11H2,2-3H3
InChIKeyOGWAQMQGHCSXMO-UHFFFAOYSA-N
Deep SMILEScould not be computed
Murcko Frameworkc1ccc(cc1)C2Cc3ccccc3CC2

Organism taxonomy


DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Cyperaceae  Carex  Carex distachya Wikidata logo
Ref:
Wikidata logo

Chemical ontology


PathwaySuperclassClass
Shikimates and PhenylpropanoidsStilbenoidsMonomeric stilbenes

Molecular Properties

Total atom number45
Heavy atom number23
Bond count25
Number of carbons20
Minimal number of rings3
Maximal number of rings4

Molecular Descriptors

NP-likeness score 1
Alogp4.07
Alogp216.59
Apol 52.2754
Bpol 25.9666
EccentricConnectivityIndexDescriptor 379
FmfDescriptor 0.6957
Fsp3 0.3
FragmentComplexityDescriptor 1703.03
PetitjeanNumber 0.5
LipinskiRuleOf5Failures 0
WienerPathNumber1074
Xlogp 3.534
ZagrebIndex 122
TopoPSA 49.69