Q82891382

[object Object]
Name6-methyl-2-(4-methylphenyl)hept-5-en-2-ol
WikidataQ82891382
Mol. formulaC15H22O
CAS registry number-
Mol. weight218.3351

Representations

Temporary LOTUS idLTS0249923
Name6-methyl-2-(4-methylphenyl)hept-5-en-2-ol
Canonical SMILESCC(C)=CCCC(C)(O)c1ccc(C)cc1
2D SMILESCC(C)=CCCC(C)(O)c1ccc(C)cc1
IUPAC name6-methyl-2-(4-methylphenyl)hept-5-en-2-ol
InChIInChI=1S/C15H22O/c1-12(2)6-5-11-15(4,16)14-9-7-13(3)8-10-14/h6-10,16H,5,11H2,1-4H3
InChIKeyWQIRCLDVWQIBLO-UHFFFAOYSA-N
Deep SMILEScould not be computed
Murcko Frameworkc1ccccc1

Organism taxonomy


DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Hamamelidaceae  Hamamelis  Hamamelis virginiana Wikidata logo
Ref:
Wikidata logo

KingdomPhylumFamilyGenusSpeciesLink to taxonomy
 Plantae  Tracheophyta  Annonaceae  Friesodielsia  Friesodielsia enghiana ex 
Ref:

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Asteraceae  Matricaria  Matricaria chamomilla Wikidata logo
Ref:
Wikidata logo

Chemical ontology


PathwaySuperclassClass
TerpenoidsSesquiterpenoidsBisabolane sesquiterpenoids

Molecular Properties

Total atom number38
Heavy atom number16
Bond count16
Number of carbons15
Minimal number of rings1
Maximal number of rings1

Molecular Descriptors

NP-likeness score 1.41
Alogp4.19
Alogp217.54
Apol 41.8714
Bpol 24.0506
EccentricConnectivityIndexDescriptor 236
FmfDescriptor 0.375
Fsp3 0.4667
FragmentComplexityDescriptor 1204.01
PetitjeanNumber 0.5
LipinskiRuleOf5Failures 0
WienerPathNumber484
Xlogp 4
ZagrebIndex 76
TopoPSA 20.23