3-hydroxy-4-methylnaphthalene-2,7-disulfonic acid

C11H10O7S2 — CID 20736921

IUPAC3-hydroxy-4-methylnaphthalene-2,7-disulfonic acid
SMILESCc1c(O)c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)ccc12
InChIInChI=1S/C11H10O7S2/c1-6-9-3-2-8(19(13,14)15)4-7(9)5-10(11(6)12)20(16,17)18/h2-5,12H,1H3,(H,13,14,15)(H,16,17,18)
InChIKeyIJVZUYLQVBLDGA-UHFFFAOYSA-N
MW318.33 g/mol
LogP1.35
Rot. Bonds2

About 3-hydroxy-4-methylnaphthalene-2,7-disulfonic acid

3-hydroxy-4-methylnaphthalene-2,7-disulfonic acid (PubChem CID 20736921) has the molecular formula C11H10O7S2 and a molecular weight of 318.33 g/mol. Its IUPAC name is 3-hydroxy-4-methylnaphthalene-2,7-disulfonic acid.

Molecular Properties

Compound Name3-hydroxy-4-methylnaphthalene-2,7-disulfonic acid
PubChem CID20736921
Molecular FormulaC11H10O7S2
Molecular Weight318.33 g/mol
Exact Mass317.99
IUPAC Name3-hydroxy-4-methylnaphthalene-2,7-disulfonic acid
SMILESCc1c(O)c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)ccc12
InChIInChI=1S/C11H10O7S2/c1-6-9-3-2-8(19(13,14)15)4-7(9)5-10(11(6)12)20(16,17)18/h2-5,12H,1H3,(H,13,14,15)(H,16,17,18)
InChIKeyIJVZUYLQVBLDGA-UHFFFAOYSA-N
XLogP1.35
TPSA128.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-hydroxy-4-methylnaphthalene-2,7-disulfonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-3-hydroxynaphthalene-2,7-disulfonic acid
CID 16177
3-hydroxy-4-nitrosonaphthalene-2,7-disulfonic acid;hydrate
CID 155168760
2-NITROSO-1-NAPHTHOL-3,6-DISULFONIC ACID, DISODIUM SALT
CID 126959684
naphthalene-2,3,6-trisulfonic acid
CID 42609669
4-[(4-tert-butylphenyl)diazenyl]-3-hydroxynaphthalene-2,7-disulfonic acid
CID 136912425
CID 87126465
CID 87126465
3-hydroxy-4-(4-sulfonaphthalen-1-yl)naphthalene-2,7-disulfonic acid
CID 101038926
2-hydroxynaphthalene-1,3,6-trisulfonic acid;7-hydroxynaphthalene-1,3,6-trisulfonic acid
CID 88606233
1,4-dihydroxynaphthalene-2,7-disulfonic acid
CID 151440916
4-[(6,8-disulfonaphthalen-2-yl)diazenyl]-3-hydroxynaphthalene-2,7-disulfonic acid
CID 136866266
1,3-dihydroxynaphthalene-2,6-disulfonic acid
CID 6365319
4-[[2-[(2,4-dimethylphenyl)diazenyl]-4,6-dimethylphenyl]diazenyl]-3-hydroxynaphthalene-2,7-disulfonic acid
CID 136863141

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methylnaphthalene-2,7-disulfonic acid?
The IUPAC name of 3-hydroxy-4-methylnaphthalene-2,7-disulfonic acid (CID 20736921) is 3-hydroxy-4-methylnaphthalene-2,7-disulfonic acid.
What is the SMILES notation for 3-hydroxy-4-methylnaphthalene-2,7-disulfonic acid?
The canonical SMILES for 3-hydroxy-4-methylnaphthalene-2,7-disulfonic acid is Cc1c(O)c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)ccc12.
What is the InChIKey of 3-hydroxy-4-methylnaphthalene-2,7-disulfonic acid?
The InChIKey is IJVZUYLQVBLDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O7S2/c1-6-9-3-2-8(19(13,14)15)4-7(9)5-10(11(6)12)20(16,17)18/h2-5,12H,1H3,(H,13,14,15)(H,16,17,18).
What are the key properties of 3-hydroxy-4-methylnaphthalene-2,7-disulfonic acid?
3-hydroxy-4-methylnaphthalene-2,7-disulfonic acid has a molecular weight of 318.33 g/mol, XLogP of 1.35, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methylnaphthalene-2,7-disulfonic acid is sourced from PubChem (CID 20736921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).