3-(2-hydroxypropyl)-2,6-dimethylphenol

C11H16O2 — CID 117278413

IUPAC3-(2-hydroxypropyl)-2,6-dimethylphenol
SMILESCc1ccc(CC(C)O)c(C)c1O
InChIInChI=1S/C11H16O2/c1-7-4-5-10(6-8(2)12)9(3)11(7)13/h4-5,8,12-13H,6H2,1-3H3
InChIKeyUVWHHVXMCNCHDI-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.93
Rot. Bonds2

About 3-(2-hydroxypropyl)-2,6-dimethylphenol

3-(2-hydroxypropyl)-2,6-dimethylphenol (PubChem CID 117278413) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-(2-hydroxypropyl)-2,6-dimethylphenol.

Molecular Properties

Compound Name3-(2-hydroxypropyl)-2,6-dimethylphenol
PubChem CID117278413
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name3-(2-hydroxypropyl)-2,6-dimethylphenol
SMILESCc1ccc(CC(C)O)c(C)c1O
InChIInChI=1S/C11H16O2/c1-7-4-5-10(6-8(2)12)9(3)11(7)13/h4-5,8,12-13H,6H2,1-3H3
InChIKeyUVWHHVXMCNCHDI-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxypropyl)-2,6-dimethylphenol?
The IUPAC name of 3-(2-hydroxypropyl)-2,6-dimethylphenol (CID 117278413) is 3-(2-hydroxypropyl)-2,6-dimethylphenol.
What is the SMILES notation for 3-(2-hydroxypropyl)-2,6-dimethylphenol?
The canonical SMILES for 3-(2-hydroxypropyl)-2,6-dimethylphenol is Cc1ccc(CC(C)O)c(C)c1O.
What is the InChIKey of 3-(2-hydroxypropyl)-2,6-dimethylphenol?
The InChIKey is UVWHHVXMCNCHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-7-4-5-10(6-8(2)12)9(3)11(7)13/h4-5,8,12-13H,6H2,1-3H3.
What are the key properties of 3-(2-hydroxypropyl)-2,6-dimethylphenol?
3-(2-hydroxypropyl)-2,6-dimethylphenol has a molecular weight of 180.25 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxypropyl)-2,6-dimethylphenol is sourced from PubChem (CID 117278413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).