8-methoxydibenzo-p-dioxin-2,3,7-triol

C13H10O6 — CID 71171145

IUPAC8-methoxydibenzo-p-dioxin-2,3,7-triol
SMILESCOc1cc2c(cc1O)Oc1cc(O)c(O)cc1O2
InChIInChI=1S/C13H10O6/c1-17-9-5-13-12(4-8(9)16)18-10-2-6(14)7(15)3-11(10)19-13/h2-5,14-16H,1H3
InChIKeyUSMKNMAHUJWUSS-UHFFFAOYSA-N
MW262.22 g/mol
LogP2.71
Rot. Bonds1

About 8-methoxydibenzo-p-dioxin-2,3,7-triol

8-methoxydibenzo-p-dioxin-2,3,7-triol (PubChem CID 71171145) has the molecular formula C13H10O6 and a molecular weight of 262.22 g/mol. Its IUPAC name is 8-methoxydibenzo-p-dioxin-2,3,7-triol.

Molecular Properties

Compound Name8-methoxydibenzo-p-dioxin-2,3,7-triol
PubChem CID71171145
Molecular FormulaC13H10O6
Molecular Weight262.22 g/mol
Exact Mass262.05
IUPAC Name8-methoxydibenzo-p-dioxin-2,3,7-triol
SMILESCOc1cc2c(cc1O)Oc1cc(O)c(O)cc1O2
InChIInChI=1S/C13H10O6/c1-17-9-5-13-12(4-8(9)16)18-10-2-6(14)7(15)3-11(10)19-13/h2-5,14-16H,1H3
InChIKeyUSMKNMAHUJWUSS-UHFFFAOYSA-N
XLogP2.71
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.22
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 8-methoxydibenzo-p-dioxin-2,3,7-triol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methoxybenzene-1,2,4-triol
CID 20551665
(8E)-8-ethylidene-3-methoxy-7-oxabicyclo[4.2.0]octa-1,3,5-trien-4-ol
CID 129390731
5-methoxy-2,3-dihydro-1-benzofuran-6-ol
CID 10953886
4-iodo-2,5-dimethoxyphenol
CID 10850321
3-amino-5-methoxy-2,3-dihydro-1-benzofuran-6-ol
CID 55292013
7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-ol
CID 10176661
4-(1-aminoethyl)-2,5-dimethoxyphenol
CID 117287023
ethyl 6-hydroxy-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-3-carboxylate
CID 123874782
2,3,7,8-tetramethoxy-10,10-dimethylbenzo[b][1,4]benzoxasiline
CID 70926351
2-methoxy-4,5-bis(trifluoromethyl)phenol
CID 118852194
4-(benzotriazol-2-yl)-2,5-dimethoxyphenol
CID 21390051
(2R,3S)-5-methoxy-3-methyl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-6-ol
CID 163037517

Frequently Asked Questions

What is the IUPAC name of 8-methoxydibenzo-p-dioxin-2,3,7-triol?
The IUPAC name of 8-methoxydibenzo-p-dioxin-2,3,7-triol (CID 71171145) is 8-methoxydibenzo-p-dioxin-2,3,7-triol.
What is the SMILES notation for 8-methoxydibenzo-p-dioxin-2,3,7-triol?
The canonical SMILES for 8-methoxydibenzo-p-dioxin-2,3,7-triol is COc1cc2c(cc1O)Oc1cc(O)c(O)cc1O2.
What is the InChIKey of 8-methoxydibenzo-p-dioxin-2,3,7-triol?
The InChIKey is USMKNMAHUJWUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O6/c1-17-9-5-13-12(4-8(9)16)18-10-2-6(14)7(15)3-11(10)19-13/h2-5,14-16H,1H3.
What are the key properties of 8-methoxydibenzo-p-dioxin-2,3,7-triol?
8-methoxydibenzo-p-dioxin-2,3,7-triol has a molecular weight of 262.22 g/mol, XLogP of 2.71, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxydibenzo-p-dioxin-2,3,7-triol is sourced from PubChem (CID 71171145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).