2-(2-methylphenoxy)ethanol

C9H12O2 — CID 22539

IUPAC2-(2-methylphenoxy)ethanol
SMILESCc1ccccc1OCCO
InChIInChI=1S/C9H12O2/c1-8-4-2-3-5-9(8)11-7-6-10/h2-5,10H,6-7H2,1H3
InChIKeyKWYCFJCICXFNEK-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.37
Rot. Bonds3

About 2-(2-methylphenoxy)ethanol

2-(2-methylphenoxy)ethanol (PubChem CID 22539) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 2-(2-methylphenoxy)ethanol.

Molecular Properties

Compound Name2-(2-methylphenoxy)ethanol
PubChem CID22539
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name2-(2-methylphenoxy)ethanol
SMILESCc1ccccc1OCCO
InChIInChI=1S/C9H12O2/c1-8-4-2-3-5-9(8)11-7-6-10/h2-5,10H,6-7H2,1H3
InChIKeyKWYCFJCICXFNEK-UHFFFAOYSA-N
XLogP1.37
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)ethanol?
The IUPAC name of 2-(2-methylphenoxy)ethanol (CID 22539) is 2-(2-methylphenoxy)ethanol.
What is the SMILES notation for 2-(2-methylphenoxy)ethanol?
The canonical SMILES for 2-(2-methylphenoxy)ethanol is Cc1ccccc1OCCO.
What is the InChIKey of 2-(2-methylphenoxy)ethanol?
The InChIKey is KWYCFJCICXFNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-8-4-2-3-5-9(8)11-7-6-10/h2-5,10H,6-7H2,1H3.
What are the key properties of 2-(2-methylphenoxy)ethanol?
2-(2-methylphenoxy)ethanol has a molecular weight of 152.19 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)ethanol is sourced from PubChem (CID 22539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).