Q82022832

[object Object]
Name2-{[(2-hydroxyphenyl)methoxy]methyl}phenol
WikidataQ82022832
Mol. formulaC14H14O3
CAS registry number-
Mol. weight230.2597

Representations

Temporary LOTUS idLTS0140714
Name2-{[(2-hydroxyphenyl)methoxy]methyl}phenol
Canonical SMILESOc1ccccc1COCc1ccccc1O
2D SMILESOc1ccccc1COCc1ccccc1O
IUPAC name2-{[(2-hydroxyphenyl)methoxy]methyl}phenol
InChIInChI=1S/C14H14O3/c15-13-7-3-1-5-11(13)9-17-10-12-6-2-4-8-14(12)16/h1-8,15-16H,9-10H2
InChIKeyPLNNBRYFKARCEV-UHFFFAOYSA-N
Deep SMILEScould not be computed
Murcko FrameworkO(Cc1ccccc1)Cc2ccccc2

Organism taxonomy


DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Annonaceae  Miliusa  Miliusa balansae Wikidata logo
Ref:
Wikidata logo

Chemical ontology


PathwaySuperclassClass
Shikimates and Phenylpropanoids|Polyketides||

Molecular Properties

Total atom number31
Heavy atom number17
Bond count18
Number of carbons14
Minimal number of rings2
Maximal number of rings2

Molecular Descriptors

NP-likeness score 1
Alogp2.68
Alogp27.2
Apol 36.3811
Bpol 17.2209
EccentricConnectivityIndexDescriptor 286
FmfDescriptor 0.8824
Fsp3 0.1429
FragmentComplexityDescriptor 752.03
PetitjeanNumber 0.5
LipinskiRuleOf5Failures 0
WienerPathNumber588
Xlogp 2.628
ZagrebIndex 82
TopoPSA 49.69