Q104935525

[object Object]
Name2-(3-hydroxybenzoyl)-3,5-dimethoxyphenol
WikidataQ104935525
Mol. formulaC15H14O5
CAS registry number-
Mol. weight274.2692

Representations

Temporary LOTUS idLTS0068252
Name2-(3-hydroxybenzoyl)-3,5-dimethoxyphenol
Canonical SMILESCOc1cc(O)c(C(=O)c2cccc(O)c2)c(OC)c1
2D SMILESCOc1cc(O)c(C(=O)c2cccc(O)c2)c(OC)c1
IUPAC name2-(3-hydroxybenzoyl)-3,5-dimethoxyphenol
InChIInChI=1S/C15H14O5/c1-19-11-7-12(17)14(13(8-11)20-2)15(18)9-4-3-5-10(16)6-9/h3-8,16-17H,1-2H3
InChIKeyBGGQJSYKMBVXSB-UHFFFAOYSA-N
Deep SMILEScould not be computed
Murcko Frameworkc1ccc(cc1)Cc2ccccc2

Organism taxonomy


DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Clusiaceae  Garcinia  Garcinia multiflora Wikidata logo
Ref:
Wikidata logo

Chemical ontology


PathwaySuperclassClass
PolyketidesPhloroglucinolsAcyl phloroglucinols

Molecular Properties

Total atom number34
Heavy atom number20
Bond count21
Number of carbons15
Minimal number of rings2
Maximal number of rings2

Molecular Descriptors

NP-likeness score 1.02
Alogp2.67
Alogp27.11
Apol 39.7451
Bpol 20.0949
EccentricConnectivityIndexDescriptor 313
FmfDescriptor 0.65
Fsp3 0.1333
FragmentComplexityDescriptor 845.05
PetitjeanNumber 0.5
LipinskiRuleOf5Failures 0
WienerPathNumber786
Xlogp 3.023
ZagrebIndex 100
TopoPSA 75.99