2,3-dimethyl-1H-indole-5,6-diol;1H-indole-5,6-diol;1H-indol-4-ol;1H-indol-5-ol;1H-indol-6-ol;5-methoxy-1H-indol-6-ol;2-methyl-1H-indole-5,6-diol;3-methyl-1H-indole-5,6-diol

C69H66N8O13 — CID 159150332

IUPAC2,3-dimethyl-1H-indole-5,6-diol;1H-indole-5,6-diol;1H-indol-4-ol;1H-indol-5-ol;1H-indol-6-ol;5-methoxy-1H-indol-6-ol;2-methyl-1H-indole-5,6-diol;3-methyl-1H-indole-5,6-diol
SMILESCOc1cc2cc[nH]c2cc1O.Cc1[nH]c2cc(O)c(O)cc2c1C.Cc1c[nH]c2cc(O)c(O)cc12.Cc1cc2cc(O)c(O)cc2[nH]1.Oc1cc2cc[nH]c2cc1O.Oc1ccc2[nH]ccc2c1.Oc1ccc2cc[nH]c2c1.Oc1cccc2[nH]ccc12
InChIInChI=1S/C10H11NO2.3C9H9NO2.C8H7NO2.3C8H7NO/c1-5-6(2)11-8-4-10(13)9(12)3-7(5)8;1-5-4-10-7-3-9(12)8(11)2-6(5)7;1-5-2-6-3-8(11)9(12)4-7(6)10-5;1-12-9-4-6-2-3-10-7(6)5-8(9)11;10-7-3-5-1-2-9-6(5)4-8(7)11;10-7-1-2-8-6(5-7)3-4-9-8;10-7-2-1-6-3-4-9-8(6)5-7;10-8-3-1-2-7-6(8)4-5-9-7/h3-4,11-13H,1-2H3;2*2-4,10-12H,1H3;2-5,10-11H,1H3;1-4,9-11H;3*1-5,9-10H
InChIKeyKJEUTJQBAJHSQQ-UHFFFAOYSA-N
MW1215.33 g/mol
LogP15.05
Rot. Bonds1

About 2,3-dimethyl-1H-indole-5,6-diol;1H-indole-5,6-diol;1H-indol-4-ol;1H-indol-5-ol;1H-indol-6-ol;5-methoxy-1H-indol-6-ol;2-methyl-1H-indole-5,6-diol;3-methyl-1H-indole-5,6-diol

2,3-dimethyl-1H-indole-5,6-diol;1H-indole-5,6-diol;1H-indol-4-ol;1H-indol-5-ol;1H-indol-6-ol;5-methoxy-1H-indol-6-ol;2-methyl-1H-indole-5,6-diol;3-methyl-1H-indole-5,6-diol (PubChem CID 159150332) has the molecular formula C69H66N8O13 and a molecular weight of 1215.33 g/mol. Its IUPAC name is 2,3-dimethyl-1H-indole-5,6-diol;1H-indole-5,6-diol;1H-indol-4-ol;1H-indol-5-ol;1H-indol-6-ol;5-methoxy-1H-indol-6-ol;2-methyl-1H-indole-5,6-diol;3-methyl-1H-indole-5,6-diol.

Molecular Properties

Compound Name2,3-dimethyl-1H-indole-5,6-diol;1H-indole-5,6-diol;1H-indol-4-ol;1H-indol-5-ol;1H-indol-6-ol;5-methoxy-1H-indol-6-ol;2-methyl-1H-indole-5,6-diol;3-methyl-1H-indole-5,6-diol
PubChem CID159150332
Molecular FormulaC69H66N8O13
Molecular Weight1215.33 g/mol
Exact Mass1214.47
IUPAC Name2,3-dimethyl-1H-indole-5,6-diol;1H-indole-5,6-diol;1H-indol-4-ol;1H-indol-5-ol;1H-indol-6-ol;5-methoxy-1H-indol-6-ol;2-methyl-1H-indole-5,6-diol;3-methyl-1H-indole-5,6-diol
SMILESCOc1cc2cc[nH]c2cc1O.Cc1[nH]c2cc(O)c(O)cc2c1C.Cc1c[nH]c2cc(O)c(O)cc12.Cc1cc2cc(O)c(O)cc2[nH]1.Oc1cc2cc[nH]c2cc1O.Oc1ccc2[nH]ccc2c1.Oc1ccc2cc[nH]c2c1.Oc1cccc2[nH]ccc12
InChIInChI=1S/C10H11NO2.3C9H9NO2.C8H7NO2.3C8H7NO/c1-5-6(2)11-8-4-10(13)9(12)3-7(5)8;1-5-4-10-7-3-9(12)8(11)2-6(5)7;1-5-2-6-3-8(11)9(12)4-7(6)10-5;1-12-9-4-6-2-3-10-7(6)5-8(9)11;10-7-3-5-1-2-9-6(5)4-8(7)11;10-7-1-2-8-6(5-7)3-4-9-8;10-7-2-1-6-3-4-9-8(6)5-7;10-8-3-1-2-7-6(8)4-5-9-7/h3-4,11-13H,1-2H3;2*2-4,10-12H,1H3;2-5,10-11H,1H3;1-4,9-11H;3*1-5,9-10H
InChIKeyKJEUTJQBAJHSQQ-UHFFFAOYSA-N
XLogP15.05
TPSA378.31 Ų
H-Bond Donors20
H-Bond Acceptors13
Rotatable Bonds1
Heavy Atoms90
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001215.33
LogP ≤ 515.05
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 2,3-dimethyl-1H-indole-5,6-diol;1H-indole-5,6-diol;1H-indol-4-ol;1H-indol-5-ol;1H-indol-6-ol;5-methoxy-1H-indol-6-ol;2-methyl-1H-indole-5,6-diol;3-methyl-1H-indole-5,6-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1H-indole-5,6-diol;1H-indole-5,6-diol;1H-indol-4-ol;1H-indol-5-ol;1H-indol-6-ol;5-methoxy-1H-indol-6-ol;2-methyl-1H-indole-5,6-diol;3-methyl-1H-indole-5,6-diol?
The IUPAC name of 2,3-dimethyl-1H-indole-5,6-diol;1H-indole-5,6-diol;1H-indol-4-ol;1H-indol-5-ol;1H-indol-6-ol;5-methoxy-1H-indol-6-ol;2-methyl-1H-indole-5,6-diol;3-methyl-1H-indole-5,6-diol (CID 159150332) is 2,3-dimethyl-1H-indole-5,6-diol;1H-indole-5,6-diol;1H-indol-4-ol;1H-indol-5-ol;1H-indol-6-ol;5-methoxy-1H-indol-6-ol;2-methyl-1H-indole-5,6-diol;3-methyl-1H-indole-5,6-diol.
What is the SMILES notation for 2,3-dimethyl-1H-indole-5,6-diol;1H-indole-5,6-diol;1H-indol-4-ol;1H-indol-5-ol;1H-indol-6-ol;5-methoxy-1H-indol-6-ol;2-methyl-1H-indole-5,6-diol;3-methyl-1H-indole-5,6-diol?
The canonical SMILES for 2,3-dimethyl-1H-indole-5,6-diol;1H-indole-5,6-diol;1H-indol-4-ol;1H-indol-5-ol;1H-indol-6-ol;5-methoxy-1H-indol-6-ol;2-methyl-1H-indole-5,6-diol;3-methyl-1H-indole-5,6-diol is COc1cc2cc[nH]c2cc1O.Cc1[nH]c2cc(O)c(O)cc2c1C.Cc1c[nH]c2cc(O)c(O)cc12.Cc1cc2cc(O)c(O)cc2[nH]1.Oc1cc2cc[nH]c2cc1O.Oc1ccc2[nH]ccc2c1.Oc1ccc2cc[nH]c2c1.Oc1cccc2[nH]ccc12.
What is the InChIKey of 2,3-dimethyl-1H-indole-5,6-diol;1H-indole-5,6-diol;1H-indol-4-ol;1H-indol-5-ol;1H-indol-6-ol;5-methoxy-1H-indol-6-ol;2-methyl-1H-indole-5,6-diol;3-methyl-1H-indole-5,6-diol?
The InChIKey is KJEUTJQBAJHSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2.3C9H9NO2.C8H7NO2.3C8H7NO/c1-5-6(2)11-8-4-10(13)9(12)3-7(5)8;1-5-4-10-7-3-9(12)8(11)2-6(5)7;1-5-2-6-3-8(11)9(12)4-7(6)10-5;1-12-9-4-6-2-3-10-7(6)5-8(9)11;10-7-3-5-1-2-9-6(5)4-8(7)11;10-7-1-2-8-6(5-7)3-4-9-8;10-7-2-1-6-3-4-9-8(6)5-7;10-8-3-1-2-7-6(8)4-5-9-7/h3-4,11-13H,1-2H3;2*2-4,10-12H,1H3;2-5,10-11H,1H3;1-4,9-11H;3*1-5,9-10H.
What are the key properties of 2,3-dimethyl-1H-indole-5,6-diol;1H-indole-5,6-diol;1H-indol-4-ol;1H-indol-5-ol;1H-indol-6-ol;5-methoxy-1H-indol-6-ol;2-methyl-1H-indole-5,6-diol;3-methyl-1H-indole-5,6-diol?
2,3-dimethyl-1H-indole-5,6-diol;1H-indole-5,6-diol;1H-indol-4-ol;1H-indol-5-ol;1H-indol-6-ol;5-methoxy-1H-indol-6-ol;2-methyl-1H-indole-5,6-diol;3-methyl-1H-indole-5,6-diol has a molecular weight of 1215.33 g/mol, XLogP of 15.05, 1 rotatable bonds, 20 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1H-indole-5,6-diol;1H-indole-5,6-diol;1H-indol-4-ol;1H-indol-5-ol;1H-indol-6-ol;5-methoxy-1H-indol-6-ol;2-methyl-1H-indole-5,6-diol;3-methyl-1H-indole-5,6-diol is sourced from PubChem (CID 159150332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).