2-(hydroxymethyl)-5-methoxy-3-methyl-1H-indole-4,7-diol

C11H13NO4 — CID 59074568

IUPAC2-(hydroxymethyl)-5-methoxy-3-methyl-1H-indole-4,7-diol
SMILESCOc1cc(O)c2[nH]c(CO)c(C)c2c1O
InChIInChI=1S/C11H13NO4/c1-5-6(4-13)12-10-7(14)3-8(16-2)11(15)9(5)10/h3,12-15H,4H2,1-2H3
InChIKeyCZMNXEQULHNPPI-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.39
Rot. Bonds2

About 2-(hydroxymethyl)-5-methoxy-3-methyl-1H-indole-4,7-diol

2-(hydroxymethyl)-5-methoxy-3-methyl-1H-indole-4,7-diol (PubChem CID 59074568) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-(hydroxymethyl)-5-methoxy-3-methyl-1H-indole-4,7-diol.

Molecular Properties

Compound Name2-(hydroxymethyl)-5-methoxy-3-methyl-1H-indole-4,7-diol
PubChem CID59074568
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name2-(hydroxymethyl)-5-methoxy-3-methyl-1H-indole-4,7-diol
SMILESCOc1cc(O)c2[nH]c(CO)c(C)c2c1O
InChIInChI=1S/C11H13NO4/c1-5-6(4-13)12-10-7(14)3-8(16-2)11(15)9(5)10/h3,12-15H,4H2,1-2H3
InChIKeyCZMNXEQULHNPPI-UHFFFAOYSA-N
XLogP1.39
TPSA85.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(7-methoxy-3,4-dimethyl-1H-indol-2-yl)methanol
CID 84620551
2,5-dimethoxy-3-methylbenzene-1,4-diol
CID 118620662
4-(hydroxymethyl)-2,6-dimethoxybenzene-1,3-diol
CID 149144682
3,5-dimethoxy-2,6-dimethylphenol
CID 25145990
1-(2,4-dihydroxy-6-methoxy-3-methylphenyl)-2-hydroxyethanone
CID 91352605
2,5-dimethoxy-3,4-dimethylphenol
CID 84658444
4-(hydroxymethyl)-2-methoxy-5-methylphenol
CID 15340173
4-butyl-5-methoxy-2-methylbenzene-1,3-diol
CID 143238612
2-(3-hydroxypropyl)-6-methoxy-3,4-dimethylphenol
CID 117300572
5-methoxybenzene-1,2,4-triol
CID 20551665
5-(hydroxymethyl)-3-methoxy-4-methylbenzene-1,2-diol
CID 91826699
(4-chloro-7-methoxy-3-methyl-1H-indol-2-yl)methanamine
CID 83868244

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-5-methoxy-3-methyl-1H-indole-4,7-diol?
The IUPAC name of 2-(hydroxymethyl)-5-methoxy-3-methyl-1H-indole-4,7-diol (CID 59074568) is 2-(hydroxymethyl)-5-methoxy-3-methyl-1H-indole-4,7-diol.
What is the SMILES notation for 2-(hydroxymethyl)-5-methoxy-3-methyl-1H-indole-4,7-diol?
The canonical SMILES for 2-(hydroxymethyl)-5-methoxy-3-methyl-1H-indole-4,7-diol is COc1cc(O)c2[nH]c(CO)c(C)c2c1O.
What is the InChIKey of 2-(hydroxymethyl)-5-methoxy-3-methyl-1H-indole-4,7-diol?
The InChIKey is CZMNXEQULHNPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-5-6(4-13)12-10-7(14)3-8(16-2)11(15)9(5)10/h3,12-15H,4H2,1-2H3.
What are the key properties of 2-(hydroxymethyl)-5-methoxy-3-methyl-1H-indole-4,7-diol?
2-(hydroxymethyl)-5-methoxy-3-methyl-1H-indole-4,7-diol has a molecular weight of 223.23 g/mol, XLogP of 1.39, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-5-methoxy-3-methyl-1H-indole-4,7-diol is sourced from PubChem (CID 59074568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).