disodium bis(2-carboxy-4-hydroxy-6-methylnaphthalen-1-olate)

C24H18Na2O8 — CID 178181369

IUPACdisodium bis(2-carboxy-4-hydroxy-6-methylnaphthalen-1-olate)
SMILESCc1ccc2c([O-])c(C(=O)O)cc(O)c2c1.Cc1ccc2c([O-])c(C(=O)O)cc(O)c2c1.[Na+].[Na+]
InChIInChI=1S/2C12H10O4.2Na/c2*1-6-2-3-7-8(4-6)10(13)5-9(11(7)14)12(15)16;;/h2*2-5,13-14H,1H3,(H,15,16);;/q;;2*+1/p-2
InChIKeyOFZBEHAENHWXNM-UHFFFAOYSA-L
MW480.38 g/mol
LogP-2.74
Rot. Bonds2

About disodium bis(2-carboxy-4-hydroxy-6-methylnaphthalen-1-olate)

disodium bis(2-carboxy-4-hydroxy-6-methylnaphthalen-1-olate) (PubChem CID 178181369) has the molecular formula C24H18Na2O8 and a molecular weight of 480.38 g/mol. Its IUPAC name is disodium bis(2-carboxy-4-hydroxy-6-methylnaphthalen-1-olate).

Molecular Properties

Compound Namedisodium bis(2-carboxy-4-hydroxy-6-methylnaphthalen-1-olate)
PubChem CID178181369
Molecular FormulaC24H18Na2O8
Molecular Weight480.38 g/mol
Exact Mass480.08
IUPAC Namedisodium bis(2-carboxy-4-hydroxy-6-methylnaphthalen-1-olate)
SMILESCc1ccc2c([O-])c(C(=O)O)cc(O)c2c1.Cc1ccc2c([O-])c(C(=O)O)cc(O)c2c1.[Na+].[Na+]
InChIInChI=1S/2C12H10O4.2Na/c2*1-6-2-3-7-8(4-6)10(13)5-9(11(7)14)12(15)16;;/h2*2-5,13-14H,1H3,(H,15,16);;/q;;2*+1/p-2
InChIKeyOFZBEHAENHWXNM-UHFFFAOYSA-L
XLogP-2.74
TPSA161.18 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.38
LogP ≤ 5-2.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze disodium bis(2-carboxy-4-hydroxy-6-methylnaphthalen-1-olate) 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

dipotassium bis(2-carboxy-4-hydroxynaphthalen-1-olate)
CID 178181364
6-methylnaphthalene-1,4-dicarboxylic acid
CID 23139708
ethane;2-hydroxy-4-methylbenzoic acid
CID 145280120
2-carboxy-5-methylphenolate
CID 54675829
2-carboxy-4-sulfamoylnaphthalen-1-olate
CID 54706650
2,6-dimethylnaphthalene-1,4-diol
CID 121008161
7-methylnaphthalene-1,2,3-tricarboxylic acid
CID 143435448
2-fluoro-6-methylnaphthalene-1,4-diol
CID 163406658
2-hydroxy-4-(4-methylphenyl)benzoic acid
CID 53224890
2-(2-hydroxy-5-methylphenoxy)benzoic acid
CID 14221471
1-amino-6-methylnaphthalene-2-carboxylic acid
CID 115022209
7-methylquinoline-2,4-dicarboxylic acid
CID 121010351

Frequently Asked Questions

What is the IUPAC name of disodium bis(2-carboxy-4-hydroxy-6-methylnaphthalen-1-olate)?
The IUPAC name of disodium bis(2-carboxy-4-hydroxy-6-methylnaphthalen-1-olate) (CID 178181369) is disodium bis(2-carboxy-4-hydroxy-6-methylnaphthalen-1-olate).
What is the SMILES notation for disodium bis(2-carboxy-4-hydroxy-6-methylnaphthalen-1-olate)?
The canonical SMILES for disodium bis(2-carboxy-4-hydroxy-6-methylnaphthalen-1-olate) is Cc1ccc2c([O-])c(C(=O)O)cc(O)c2c1.Cc1ccc2c([O-])c(C(=O)O)cc(O)c2c1.[Na+].[Na+].
What is the InChIKey of disodium bis(2-carboxy-4-hydroxy-6-methylnaphthalen-1-olate)?
The InChIKey is OFZBEHAENHWXNM-UHFFFAOYSA-L. The full InChI is InChI=1S/2C12H10O4.2Na/c2*1-6-2-3-7-8(4-6)10(13)5-9(11(7)14)12(15)16;;/h2*2-5,13-14H,1H3,(H,15,16);;/q;;2*+1/p-2.
What are the key properties of disodium bis(2-carboxy-4-hydroxy-6-methylnaphthalen-1-olate)?
disodium bis(2-carboxy-4-hydroxy-6-methylnaphthalen-1-olate) has a molecular weight of 480.38 g/mol, XLogP of -2.74, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for disodium bis(2-carboxy-4-hydroxy-6-methylnaphthalen-1-olate) is sourced from PubChem (CID 178181369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).