2-[[2-hydroxy-3,5-bis(hydroxymethyl)phenyl]methyl]-4,6-bis(hydroxymethyl)phenol

C17H20O6 — CID 18671164

IUPAC2-[[2-hydroxy-3,5-bis(hydroxymethyl)phenyl]methyl]-4,6-bis(hydroxymethyl)phenol
SMILESOCc1cc(CO)c(O)c(Cc2cc(CO)cc(CO)c2O)c1
InChIInChI=1S/C17H20O6/c18-6-10-1-12(16(22)14(3-10)8-20)5-13-2-11(7-19)4-15(9-21)17(13)23/h1-4,18-23H,5-9H2
InChIKeyJWLCXTZNARINLI-UHFFFAOYSA-N
MW320.34 g/mol
LogP0.66
Rot. Bonds6

About 2-[[2-hydroxy-3,5-bis(hydroxymethyl)phenyl]methyl]-4,6-bis(hydroxymethyl)phenol

2-[[2-hydroxy-3,5-bis(hydroxymethyl)phenyl]methyl]-4,6-bis(hydroxymethyl)phenol (PubChem CID 18671164) has the molecular formula C17H20O6 and a molecular weight of 320.34 g/mol. Its IUPAC name is 2-[[2-hydroxy-3,5-bis(hydroxymethyl)phenyl]methyl]-4,6-bis(hydroxymethyl)phenol.

Molecular Properties

Compound Name2-[[2-hydroxy-3,5-bis(hydroxymethyl)phenyl]methyl]-4,6-bis(hydroxymethyl)phenol
PubChem CID18671164
Molecular FormulaC17H20O6
Molecular Weight320.34 g/mol
Exact Mass320.13
IUPAC Name2-[[2-hydroxy-3,5-bis(hydroxymethyl)phenyl]methyl]-4,6-bis(hydroxymethyl)phenol
SMILESOCc1cc(CO)c(O)c(Cc2cc(CO)cc(CO)c2O)c1
InChIInChI=1S/C17H20O6/c18-6-10-1-12(16(22)14(3-10)8-20)5-13-2-11(7-19)4-15(9-21)17(13)23/h1-4,18-23H,5-9H2
InChIKeyJWLCXTZNARINLI-UHFFFAOYSA-N
XLogP0.66
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.34
LogP ≤ 50.66
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze 2-[[2-hydroxy-3,5-bis(hydroxymethyl)phenyl]methyl]-4,6-bis(hydroxymethyl)phenol 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

3-[[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]methyl]-1,5,7-tris(hydroxymethyl)naphthalene-2,6-diol
CID 70371758
2,6-bis[[5-(aminomethyl)-2-hydroxy-3-(hydroxymethyl)phenyl]methyl]-4-methylphenol
CID 151086831
2-[[2-hydroxy-3-(hydroxymethyl)-5-nonylphenyl]methyl]-6-(hydroxymethyl)-4-nonylphenol
CID 118909015
4-(hydroxymethyl)-2,6-dipropylphenol
CID 19080389
4-[3,5-bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]phenyl]-2,6-bis(hydroxymethyl)phenol
CID 22095439
4-(hydroxymethyl)-2,6-bis(prop-2-enyl)phenol
CID 67498252
2,4-bis(hydroxymethyl)-6-(1-methoxyethyl)phenol
CID 139983063
2,4-bis(hydroxymethyl)-6-methoxyphenol;2-methoxyphenol
CID 70503529
1,3,5,7-tetrakis(hydroxymethyl)naphthalene-2,6-diol
CID 70371735
2-hydroxy-5,7-bis(hydroxymethyl)-3-methylcyclohepta-2,4,6-trien-1-one
CID 130126288
1-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-3-methylthiourea
CID 22095413
[3,5-bis(hydroxymethyl)-4-methoxyphenyl]methanol
CID 154087943

Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxy-3,5-bis(hydroxymethyl)phenyl]methyl]-4,6-bis(hydroxymethyl)phenol?
The IUPAC name of 2-[[2-hydroxy-3,5-bis(hydroxymethyl)phenyl]methyl]-4,6-bis(hydroxymethyl)phenol (CID 18671164) is 2-[[2-hydroxy-3,5-bis(hydroxymethyl)phenyl]methyl]-4,6-bis(hydroxymethyl)phenol.
What is the SMILES notation for 2-[[2-hydroxy-3,5-bis(hydroxymethyl)phenyl]methyl]-4,6-bis(hydroxymethyl)phenol?
The canonical SMILES for 2-[[2-hydroxy-3,5-bis(hydroxymethyl)phenyl]methyl]-4,6-bis(hydroxymethyl)phenol is OCc1cc(CO)c(O)c(Cc2cc(CO)cc(CO)c2O)c1.
What is the InChIKey of 2-[[2-hydroxy-3,5-bis(hydroxymethyl)phenyl]methyl]-4,6-bis(hydroxymethyl)phenol?
The InChIKey is JWLCXTZNARINLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O6/c18-6-10-1-12(16(22)14(3-10)8-20)5-13-2-11(7-19)4-15(9-21)17(13)23/h1-4,18-23H,5-9H2.
What are the key properties of 2-[[2-hydroxy-3,5-bis(hydroxymethyl)phenyl]methyl]-4,6-bis(hydroxymethyl)phenol?
2-[[2-hydroxy-3,5-bis(hydroxymethyl)phenyl]methyl]-4,6-bis(hydroxymethyl)phenol has a molecular weight of 320.34 g/mol, XLogP of 0.66, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxy-3,5-bis(hydroxymethyl)phenyl]methyl]-4,6-bis(hydroxymethyl)phenol is sourced from PubChem (CID 18671164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).