6-methylnaphthalene-1,2,3-triol

C11H10O3 — CID 22497955

IUPAC6-methylnaphthalene-1,2,3-triol
SMILESCc1ccc2c(O)c(O)c(O)cc2c1
InChIInChI=1S/C11H10O3/c1-6-2-3-8-7(4-6)5-9(12)11(14)10(8)13/h2-5,12-14H,1H3
InChIKeyQKUQTNHVGJODAR-UHFFFAOYSA-N
MW190.20 g/mol
LogP2.27
Rot. Bonds

About 6-methylnaphthalene-1,2,3-triol

6-methylnaphthalene-1,2,3-triol (PubChem CID 22497955) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is 6-methylnaphthalene-1,2,3-triol.

Molecular Properties

Compound Name6-methylnaphthalene-1,2,3-triol
PubChem CID22497955
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Name6-methylnaphthalene-1,2,3-triol
SMILESCc1ccc2c(O)c(O)c(O)cc2c1
InChIInChI=1S/C11H10O3/c1-6-2-3-8-7(4-6)5-9(12)11(14)10(8)13/h2-5,12-14H,1H3
InChIKeyQKUQTNHVGJODAR-UHFFFAOYSA-N
XLogP2.27
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methylnaphthalene-1,2,3-triol?
The IUPAC name of 6-methylnaphthalene-1,2,3-triol (CID 22497955) is 6-methylnaphthalene-1,2,3-triol.
What is the SMILES notation for 6-methylnaphthalene-1,2,3-triol?
The canonical SMILES for 6-methylnaphthalene-1,2,3-triol is Cc1ccc2c(O)c(O)c(O)cc2c1.
What is the InChIKey of 6-methylnaphthalene-1,2,3-triol?
The InChIKey is QKUQTNHVGJODAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3/c1-6-2-3-8-7(4-6)5-9(12)11(14)10(8)13/h2-5,12-14H,1H3.
What are the key properties of 6-methylnaphthalene-1,2,3-triol?
6-methylnaphthalene-1,2,3-triol has a molecular weight of 190.20 g/mol, XLogP of 2.27, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylnaphthalene-1,2,3-triol is sourced from PubChem (CID 22497955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).