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

C10H14O3 — CID 130131096

IUPAC2-(2-hydroxyethoxy)-3,6-dimethylphenol
SMILESCc1ccc(C)c(OCCO)c1O
InChIInChI=1S/C10H14O3/c1-7-3-4-8(2)10(9(7)12)13-6-5-11/h3-4,11-12H,5-6H2,1-2H3
InChIKeyLBNCNCVEESRFHH-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.38
Rot. Bonds3

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

2-(2-hydroxyethoxy)-3,6-dimethylphenol (PubChem CID 130131096) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)-3,6-dimethylphenol.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)-3,6-dimethylphenol
PubChem CID130131096
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name2-(2-hydroxyethoxy)-3,6-dimethylphenol
SMILESCc1ccc(C)c(OCCO)c1O
InChIInChI=1S/C10H14O3/c1-7-3-4-8(2)10(9(7)12)13-6-5-11/h3-4,11-12H,5-6H2,1-2H3
InChIKeyLBNCNCVEESRFHH-UHFFFAOYSA-N
XLogP1.38
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxy)-3,6-dimethylphenol?
The IUPAC name of 2-(2-hydroxyethoxy)-3,6-dimethylphenol (CID 130131096) is 2-(2-hydroxyethoxy)-3,6-dimethylphenol.
What is the SMILES notation for 2-(2-hydroxyethoxy)-3,6-dimethylphenol?
The canonical SMILES for 2-(2-hydroxyethoxy)-3,6-dimethylphenol is Cc1ccc(C)c(OCCO)c1O.
What is the InChIKey of 2-(2-hydroxyethoxy)-3,6-dimethylphenol?
The InChIKey is LBNCNCVEESRFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-7-3-4-8(2)10(9(7)12)13-6-5-11/h3-4,11-12H,5-6H2,1-2H3.
What are the key properties of 2-(2-hydroxyethoxy)-3,6-dimethylphenol?
2-(2-hydroxyethoxy)-3,6-dimethylphenol has a molecular weight of 182.22 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)-3,6-dimethylphenol is sourced from PubChem (CID 130131096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).