sodium;4-[[4-hydroxy-3-(hydroxymethyl)-5-methylphenyl]methyl]-2-(hydroxymethyl)-6-methylphenol;4-[(4-hydroxy-3-methylphenyl)methyl]-2-methylphenol;hydroxide

C32H37NaO7 — CID 160639309

IUPACsodium;4-[[4-hydroxy-3-(hydroxymethyl)-5-methylphenyl]methyl]-2-(hydroxymethyl)-6-methylphenol;4-[(4-hydroxy-3-methylphenyl)methyl]-2-methylphenol;hydroxide
SMILESCc1cc(Cc2cc(C)c(O)c(CO)c2)cc(CO)c1O.Cc1cc(Cc2ccc(O)c(C)c2)ccc1O.[Na+].[OH-]
InChIInChI=1S/C17H20O4.C15H16O2.Na.H2O/c1-10-3-12(6-14(8-18)16(10)20)5-13-4-11(2)17(21)15(7-13)9-19;1-10-7-12(3-5-14(10)16)9-13-4-6-15(17)11(2)8-13;;/h3-4,6-7,18-21H,5,8-9H2,1-2H3;3-8,16-17H,9H2,1-2H3;;1H2/q;;+1;/p-1
InChIKeyRIYPGLAZDOCNGS-UHFFFAOYSA-M
MW556.63 g/mol
LogP2.42
Rot. Bonds6

About sodium;4-[[4-hydroxy-3-(hydroxymethyl)-5-methylphenyl]methyl]-2-(hydroxymethyl)-6-methylphenol;4-[(4-hydroxy-3-methylphenyl)methyl]-2-methylphenol;hydroxide

sodium;4-[[4-hydroxy-3-(hydroxymethyl)-5-methylphenyl]methyl]-2-(hydroxymethyl)-6-methylphenol;4-[(4-hydroxy-3-methylphenyl)methyl]-2-methylphenol;hydroxide (PubChem CID 160639309) has the molecular formula C32H37NaO7 and a molecular weight of 556.63 g/mol. Its IUPAC name is sodium;4-[[4-hydroxy-3-(hydroxymethyl)-5-methylphenyl]methyl]-2-(hydroxymethyl)-6-methylphenol;4-[(4-hydroxy-3-methylphenyl)methyl]-2-methylphenol;hydroxide.

Molecular Properties

Compound Namesodium;4-[[4-hydroxy-3-(hydroxymethyl)-5-methylphenyl]methyl]-2-(hydroxymethyl)-6-methylphenol;4-[(4-hydroxy-3-methylphenyl)methyl]-2-methylphenol;hydroxide
PubChem CID160639309
Molecular FormulaC32H37NaO7
Molecular Weight556.63 g/mol
Exact Mass556.24
IUPAC Namesodium;4-[[4-hydroxy-3-(hydroxymethyl)-5-methylphenyl]methyl]-2-(hydroxymethyl)-6-methylphenol;4-[(4-hydroxy-3-methylphenyl)methyl]-2-methylphenol;hydroxide
SMILESCc1cc(Cc2cc(C)c(O)c(CO)c2)cc(CO)c1O.Cc1cc(Cc2ccc(O)c(C)c2)ccc1O.[Na+].[OH-]
InChIInChI=1S/C17H20O4.C15H16O2.Na.H2O/c1-10-3-12(6-14(8-18)16(10)20)5-13-4-11(2)17(21)15(7-13)9-19;1-10-7-12(3-5-14(10)16)9-13-4-6-15(17)11(2)8-13;;/h3-4,6-7,18-21H,5,8-9H2,1-2H3;3-8,16-17H,9H2,1-2H3;;1H2/q;;+1;/p-1
InChIKeyRIYPGLAZDOCNGS-UHFFFAOYSA-M
XLogP2.42
TPSA151.38 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.63
LogP ≤ 52.42
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Analyze sodium;4-[[4-hydroxy-3-(hydroxymethyl)-5-methylphenyl]methyl]-2-(hydroxymethyl)-6-methylphenol;4-[(4-hydroxy-3-methylphenyl)methyl]-2-methylphenol;hydroxide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of sodium;4-[[4-hydroxy-3-(hydroxymethyl)-5-methylphenyl]methyl]-2-(hydroxymethyl)-6-methylphenol;4-[(4-hydroxy-3-methylphenyl)methyl]-2-methylphenol;hydroxide?
The IUPAC name of sodium;4-[[4-hydroxy-3-(hydroxymethyl)-5-methylphenyl]methyl]-2-(hydroxymethyl)-6-methylphenol;4-[(4-hydroxy-3-methylphenyl)methyl]-2-methylphenol;hydroxide (CID 160639309) is sodium;4-[[4-hydroxy-3-(hydroxymethyl)-5-methylphenyl]methyl]-2-(hydroxymethyl)-6-methylphenol;4-[(4-hydroxy-3-methylphenyl)methyl]-2-methylphenol;hydroxide.
What is the SMILES notation for sodium;4-[[4-hydroxy-3-(hydroxymethyl)-5-methylphenyl]methyl]-2-(hydroxymethyl)-6-methylphenol;4-[(4-hydroxy-3-methylphenyl)methyl]-2-methylphenol;hydroxide?
The canonical SMILES for sodium;4-[[4-hydroxy-3-(hydroxymethyl)-5-methylphenyl]methyl]-2-(hydroxymethyl)-6-methylphenol;4-[(4-hydroxy-3-methylphenyl)methyl]-2-methylphenol;hydroxide is Cc1cc(Cc2cc(C)c(O)c(CO)c2)cc(CO)c1O.Cc1cc(Cc2ccc(O)c(C)c2)ccc1O.[Na+].[OH-].
What is the InChIKey of sodium;4-[[4-hydroxy-3-(hydroxymethyl)-5-methylphenyl]methyl]-2-(hydroxymethyl)-6-methylphenol;4-[(4-hydroxy-3-methylphenyl)methyl]-2-methylphenol;hydroxide?
The InChIKey is RIYPGLAZDOCNGS-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H20O4.C15H16O2.Na.H2O/c1-10-3-12(6-14(8-18)16(10)20)5-13-4-11(2)17(21)15(7-13)9-19;1-10-7-12(3-5-14(10)16)9-13-4-6-15(17)11(2)8-13;;/h3-4,6-7,18-21H,5,8-9H2,1-2H3;3-8,16-17H,9H2,1-2H3;;1H2/q;;+1;/p-1.
What are the key properties of sodium;4-[[4-hydroxy-3-(hydroxymethyl)-5-methylphenyl]methyl]-2-(hydroxymethyl)-6-methylphenol;4-[(4-hydroxy-3-methylphenyl)methyl]-2-methylphenol;hydroxide?
sodium;4-[[4-hydroxy-3-(hydroxymethyl)-5-methylphenyl]methyl]-2-(hydroxymethyl)-6-methylphenol;4-[(4-hydroxy-3-methylphenyl)methyl]-2-methylphenol;hydroxide has a molecular weight of 556.63 g/mol, XLogP of 2.42, 6 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;4-[[4-hydroxy-3-(hydroxymethyl)-5-methylphenyl]methyl]-2-(hydroxymethyl)-6-methylphenol;4-[(4-hydroxy-3-methylphenyl)methyl]-2-methylphenol;hydroxide is sourced from PubChem (CID 160639309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).