2,6-bis(hydroxymethyl)-4-methylphenol

C9H12O3 — CID 7039

IUPAC2,6-bis(hydroxymethyl)-4-methylphenol
SMILESCc1cc(CO)c(O)c(CO)c1
InChIInChI=1S/C9H12O3/c1-6-2-7(4-10)9(12)8(3-6)5-11/h2-3,10-12H,4-5H2,1H3
InChIKeyKUMMBDBTERQYCG-UHFFFAOYSA-N
MW168.19 g/mol
LogP0.69
Rot. Bonds2

About 2,6-bis(hydroxymethyl)-4-methylphenol

2,6-bis(hydroxymethyl)-4-methylphenol (PubChem CID 7039) has the molecular formula C9H12O3 and a molecular weight of 168.19 g/mol. Its IUPAC name is 2,6-bis(hydroxymethyl)-4-methylphenol.

Molecular Properties

Compound Name2,6-bis(hydroxymethyl)-4-methylphenol
PubChem CID7039
Molecular FormulaC9H12O3
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Name2,6-bis(hydroxymethyl)-4-methylphenol
SMILESCc1cc(CO)c(O)c(CO)c1
InChIInChI=1S/C9H12O3/c1-6-2-7(4-10)9(12)8(3-6)5-11/h2-3,10-12H,4-5H2,1H3
InChIKeyKUMMBDBTERQYCG-UHFFFAOYSA-N
XLogP0.69
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-Dimethylphenol
CID 7771
2,6-Di-tert-butyl-4-methylphenol
CID 31404
Salicyl Alcohol
CID 5146
Tyrosol
CID 10393
Propofol
CID 4943
Hexylresorcinol
CID 3610
2,6-Dimethylphenol
CID 11335
4-Hydroxybenzyl Alcohol
CID 125
2,4,6-Trimethylphenol
CID 10698
2-tert-Butyl-4-methylphenol
CID 17004
2,6-Di-tert-butyl-4-ethylphenol
CID 20087
Butylated hydroxymethylphenol
CID 6929

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(hydroxymethyl)-4-methylphenol?
The IUPAC name of 2,6-bis(hydroxymethyl)-4-methylphenol (CID 7039) is 2,6-bis(hydroxymethyl)-4-methylphenol.
What is the SMILES notation for 2,6-bis(hydroxymethyl)-4-methylphenol?
The canonical SMILES for 2,6-bis(hydroxymethyl)-4-methylphenol is Cc1cc(CO)c(O)c(CO)c1.
What is the InChIKey of 2,6-bis(hydroxymethyl)-4-methylphenol?
The InChIKey is KUMMBDBTERQYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3/c1-6-2-7(4-10)9(12)8(3-6)5-11/h2-3,10-12H,4-5H2,1H3.
What are the key properties of 2,6-bis(hydroxymethyl)-4-methylphenol?
2,6-bis(hydroxymethyl)-4-methylphenol has a molecular weight of 168.19 g/mol, XLogP of 0.69, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(hydroxymethyl)-4-methylphenol is sourced from PubChem (CID 7039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).