[3-(hydroxymethyl)-2,4,6-trimethylphenyl]methanol

C11H16O2 — CID 595604

IUPAC[3-(hydroxymethyl)-2,4,6-trimethylphenyl]methanol
SMILESCc1cc(C)c(CO)c(C)c1CO
InChIInChI=1S/C11H16O2/c1-7-4-8(2)11(6-13)9(3)10(7)5-12/h4,12-13H,5-6H2,1-3H3
InChIKeyNWAIYLFAGPKYBZ-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.60
Rot. Bonds2

About [3-(hydroxymethyl)-2,4,6-trimethylphenyl]methanol

[3-(hydroxymethyl)-2,4,6-trimethylphenyl]methanol (PubChem CID 595604) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is [3-(hydroxymethyl)-2,4,6-trimethylphenyl]methanol.

Molecular Properties

Compound Name[3-(hydroxymethyl)-2,4,6-trimethylphenyl]methanol
PubChem CID595604
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name[3-(hydroxymethyl)-2,4,6-trimethylphenyl]methanol
SMILESCc1cc(C)c(CO)c(C)c1CO
InChIInChI=1S/C11H16O2/c1-7-4-8(2)11(6-13)9(3)10(7)5-12/h4,12-13H,5-6H2,1-3H3
InChIKeyNWAIYLFAGPKYBZ-UHFFFAOYSA-N
XLogP1.60
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Bay 27-9955
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Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)-2,4,6-trimethylphenyl]methanol?
The IUPAC name of [3-(hydroxymethyl)-2,4,6-trimethylphenyl]methanol (CID 595604) is [3-(hydroxymethyl)-2,4,6-trimethylphenyl]methanol.
What is the SMILES notation for [3-(hydroxymethyl)-2,4,6-trimethylphenyl]methanol?
The canonical SMILES for [3-(hydroxymethyl)-2,4,6-trimethylphenyl]methanol is Cc1cc(C)c(CO)c(C)c1CO.
What is the InChIKey of [3-(hydroxymethyl)-2,4,6-trimethylphenyl]methanol?
The InChIKey is NWAIYLFAGPKYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-7-4-8(2)11(6-13)9(3)10(7)5-12/h4,12-13H,5-6H2,1-3H3.
What are the key properties of [3-(hydroxymethyl)-2,4,6-trimethylphenyl]methanol?
[3-(hydroxymethyl)-2,4,6-trimethylphenyl]methanol has a molecular weight of 180.25 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)-2,4,6-trimethylphenyl]methanol is sourced from PubChem (CID 595604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).