Q103818516

[object Object]
Name3-ethyl-6,7-dihydroxy-3h-2-benzofuran-1-one
WikidataQ103818516
Mol. formulaC10H10O4
CAS registry number-
Mol. weight194.1844

Representations

Temporary LOTUS idLTS0236486
Name3-ethyl-6,7-dihydroxy-3h-2-benzofuran-1-one
Canonical SMILESCCC1OC(=O)c2c1ccc(O)c2O
2D SMILESCCC1OC(=O)c2c1ccc(O)c2O
IUPAC name3-ethyl-6,7-dihydroxy-1,3-dihydro-2-benzofuran-1-one
InChIInChI=1S/C10H10O4/c1-2-7-5-3-4-6(11)9(12)8(5)10(13)14-7/h3-4,7,11-12H,2H2,1H3
InChIKeyDMJVRDSZDKSVDH-UHFFFAOYSA-N
Deep SMILEScould not be computed
Murcko FrameworkO1Cc2ccccc2C1

Organism taxonomy


DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Fungi  Ascomycota  Pleosporaceae  Curvularia  Curvularia lunata Wikidata logo
 Eukaryota  Fungi  Ascomycota  Pleosporaceae  Cochliobolus  Cochliobolus lunatus Wikidata logo
Ref:
Wikidata logo

Chemical ontology


PathwaySuperclassClass
PolyketidesCyclic polyketidesPhthalide derivatives

Molecular Properties

Total atom number24
Heavy atom number14
Bond count15
Number of carbons10
Minimal number of rings2
Maximal number of rings3

Molecular Descriptors

NP-likeness score 1.01
Alogp1.81
Alogp23.26
Apol 27.4759
Bpol 13.8061
EccentricConnectivityIndexDescriptor 149
FmfDescriptor 0.6429
Fsp3 0.3
FragmentComplexityDescriptor 443.04
PetitjeanNumber 0.4286
LipinskiRuleOf5Failures 0
WienerPathNumber270
Xlogp 1.879
ZagrebIndex 74
TopoPSA 66.76