Q82762216

[object Object]
Name5-[3-(4-hydroxy-2-methoxyphenyl)propyl]-2-methoxyphenol
WikidataQ82762216
Mol. formulaC17H20O4
CAS registry number-
Mol. weight288.3389

Representations

Temporary LOTUS idLTS0232864
Name5-[3-(4-hydroxy-2-methoxyphenyl)propyl]-2-methoxyphenol
Canonical SMILESCOc1ccc(CCCc2ccc(O)cc2OC)cc1O
2D SMILESCOc1ccc(CCCc2ccc(O)cc2OC)cc1O
IUPAC name5-[3-(4-hydroxy-2-methoxyphenyl)propyl]-2-methoxyphenol
InChIInChI=1S/C17H20O4/c1-20-16-9-6-12(10-15(16)19)4-3-5-13-7-8-14(18)11-17(13)21-2/h6-11,18-19H,3-5H2,1-2H3
InChIKeyMGQGOPWLZUGCMO-UHFFFAOYSA-N
Deep SMILEScould not be computed
Murcko Frameworkc1ccc(cc1)CCCc2ccccc2

Organism taxonomy


DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Myristicaceae  Knema  Knema austrosiamensis Wikidata logo
Ref:
Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Myristicaceae  Virola  Virola multinervia Wikidata logo
Ref:
Wikidata logo

Chemical ontology


PathwaySuperclassClass
PolyketidesAromatic polyketidesCatechols with side chains

Molecular Properties

Total atom number41
Heavy atom number21
Bond count22
Number of carbons17
Minimal number of rings2
Maximal number of rings2

Molecular Descriptors

NP-likeness score 1
Alogp4.15
Alogp217.22
Apol 46.4639
Bpol 25.6961
EccentricConnectivityIndexDescriptor 439
FmfDescriptor 0.7143
Fsp3 0.2941
FragmentComplexityDescriptor 1344.04
PetitjeanNumber 0.4615
LipinskiRuleOf5Failures 0
WienerPathNumber1078
Xlogp 3.476
ZagrebIndex 102
TopoPSA 58.92