1-hydroxy-6-methylindol-2-ol

C9H9NO2 — CID 123754216

IUPAC1-hydroxy-6-methylindol-2-ol
SMILESCc1ccc2cc(O)n(O)c2c1
InChIInChI=1S/C9H9NO2/c1-6-2-3-7-5-9(11)10(12)8(7)4-6/h2-5,11-12H,1H3
InChIKeyBHFKDOFCPPYFLH-UHFFFAOYSA-N
MW163.18 g/mol
LogP1.89
Rot. Bonds

About 1-hydroxy-6-methylindol-2-ol

1-hydroxy-6-methylindol-2-ol (PubChem CID 123754216) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is 1-hydroxy-6-methylindol-2-ol.

Molecular Properties

Compound Name1-hydroxy-6-methylindol-2-ol
PubChem CID123754216
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name1-hydroxy-6-methylindol-2-ol
SMILESCc1ccc2cc(O)n(O)c2c1
InChIInChI=1S/C9H9NO2/c1-6-2-3-7-5-9(11)10(12)8(7)4-6/h2-5,11-12H,1H3
InChIKeyBHFKDOFCPPYFLH-UHFFFAOYSA-N
XLogP1.89
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-hydroxy-2,6-dimethylbenzimidazole
CID 45077894
CID 159499865
CID 159499865
7-methylnaphthalen-2-ol
CID 67841093
1-hydroxy-6-methylbenzimidazole-2-carbonitrile
CID 14062537
2,3-dimethylbenzimidazol-5-ol;1,2,6-trimethylbenzimidazole
CID 159180645
2-(1-ethyl-6-methylindol-2-yl)propan-2-ol
CID 117122681
3-(hydroxymethyl)-1,7-dimethylquinolin-2-one
CID 18802191
1-(1-ethyl-6-methylindol-2-yl)ethanamine
CID 117122696
2,9-dimethylpentacene
CID 11460950
4-(2,6-dimethylindol-1-yl)benzonitrile
CID 118086140
5-methyl-1-(4-methylphenyl)sulfonylindol-2-ol
CID 90800425
2-bromo-6-methylnaphthalene;6-bromonaphthalen-2-ol
CID 161075260

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-6-methylindol-2-ol?
The IUPAC name of 1-hydroxy-6-methylindol-2-ol (CID 123754216) is 1-hydroxy-6-methylindol-2-ol.
What is the SMILES notation for 1-hydroxy-6-methylindol-2-ol?
The canonical SMILES for 1-hydroxy-6-methylindol-2-ol is Cc1ccc2cc(O)n(O)c2c1.
What is the InChIKey of 1-hydroxy-6-methylindol-2-ol?
The InChIKey is BHFKDOFCPPYFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c1-6-2-3-7-5-9(11)10(12)8(7)4-6/h2-5,11-12H,1H3.
What are the key properties of 1-hydroxy-6-methylindol-2-ol?
1-hydroxy-6-methylindol-2-ol has a molecular weight of 163.18 g/mol, XLogP of 1.89, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-6-methylindol-2-ol is sourced from PubChem (CID 123754216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).