6-hydroxy-2-methylnaphthalene-1-sulfonic acid

C11H10O4S — CID 147399742

IUPAC6-hydroxy-2-methylnaphthalene-1-sulfonic acid
SMILESCc1ccc2cc(O)ccc2c1S(=O)(=O)O
InChIInChI=1S/C11H10O4S/c1-7-2-3-8-6-9(12)4-5-10(8)11(7)16(13,14)15/h2-6,12H,1H3,(H,13,14,15)
InChIKeyDONBSQHMEOWRCF-UHFFFAOYSA-N
MW238.26 g/mol
LogP2.10
Rot. Bonds1

About 6-hydroxy-2-methylnaphthalene-1-sulfonic acid

6-hydroxy-2-methylnaphthalene-1-sulfonic acid (PubChem CID 147399742) has the molecular formula C11H10O4S and a molecular weight of 238.26 g/mol. Its IUPAC name is 6-hydroxy-2-methylnaphthalene-1-sulfonic acid.

Molecular Properties

Compound Name6-hydroxy-2-methylnaphthalene-1-sulfonic acid
PubChem CID147399742
Molecular FormulaC11H10O4S
Molecular Weight238.26 g/mol
Exact Mass238.03
IUPAC Name6-hydroxy-2-methylnaphthalene-1-sulfonic acid
SMILESCc1ccc2cc(O)ccc2c1S(=O)(=O)O
InChIInChI=1S/C11H10O4S/c1-7-2-3-8-6-9(12)4-5-10(8)11(7)16(13,14)15/h2-6,12H,1H3,(H,13,14,15)
InChIKeyDONBSQHMEOWRCF-UHFFFAOYSA-N
XLogP2.10
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

7-hydroxynaphthalene-1,2-disulfonic acid
CID 101310160
sodium 5-hydroxy-2-methylbenzenesulfonic acid
CID 76871815
aluminum tris(5-hydroxy-2-methylbenzenesulfonic acid)
CID 119057750
9,12-dimethylbenzo[c]phenanthren-3-ol
CID 15488090
2-amino-6-methylnaphthalene-1-sulfonic acid
CID 18729054
ethane;prop-1-ene;2,5,6-trimethylnaphthalene-1,7-disulfonic acid
CID 144520590
6-methyl-5-propylnaphthalen-2-ol
CID 144690902
6-hydroxynaphthalene-2-sulfonic acid;nickel
CID 175470147
5-chloro-6-methylnaphthalene-2-sulfonic acid
CID 66519781
7-hydroxy-8-[(2-methoxy-6-methyl-5-sulfonaphthalen-1-yl)diazenyl]naphthalene-1,3-disulfonic acid
CID 136880242
benzene;benzenesulfonic acid;naphthalen-2-ol
CID 88766318
4-methyl-2-(methylamino)benzene-1,3-disulfonic acid
CID 123853688

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-methylnaphthalene-1-sulfonic acid?
The IUPAC name of 6-hydroxy-2-methylnaphthalene-1-sulfonic acid (CID 147399742) is 6-hydroxy-2-methylnaphthalene-1-sulfonic acid.
What is the SMILES notation for 6-hydroxy-2-methylnaphthalene-1-sulfonic acid?
The canonical SMILES for 6-hydroxy-2-methylnaphthalene-1-sulfonic acid is Cc1ccc2cc(O)ccc2c1S(=O)(=O)O.
What is the InChIKey of 6-hydroxy-2-methylnaphthalene-1-sulfonic acid?
The InChIKey is DONBSQHMEOWRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O4S/c1-7-2-3-8-6-9(12)4-5-10(8)11(7)16(13,14)15/h2-6,12H,1H3,(H,13,14,15).
What are the key properties of 6-hydroxy-2-methylnaphthalene-1-sulfonic acid?
6-hydroxy-2-methylnaphthalene-1-sulfonic acid has a molecular weight of 238.26 g/mol, XLogP of 2.10, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-methylnaphthalene-1-sulfonic acid is sourced from PubChem (CID 147399742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).