2-(2-methoxyphenoxy)ethanol

C9H12O3 — CID 3804139

IUPAC2-(2-methoxyphenoxy)ethanol
SMILESCOc1ccccc1OCCO
InChIInChI=1S/C9H12O3/c1-11-8-4-2-3-5-9(8)12-7-6-10/h2-5,10H,6-7H2,1H3
InChIKeyNGZBCWWJDDVXAQ-UHFFFAOYSA-N
MW168.19 g/mol
LogP1.07
Rot. Bonds4

About 2-(2-methoxyphenoxy)ethanol

2-(2-methoxyphenoxy)ethanol (PubChem CID 3804139) has the molecular formula C9H12O3 and a molecular weight of 168.19 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)ethanol.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)ethanol
PubChem CID3804139
Molecular FormulaC9H12O3
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Name2-(2-methoxyphenoxy)ethanol
SMILESCOc1ccccc1OCCO
InChIInChI=1S/C9H12O3/c1-11-8-4-2-3-5-9(8)12-7-6-10/h2-5,10H,6-7H2,1H3
InChIKeyNGZBCWWJDDVXAQ-UHFFFAOYSA-N
XLogP1.07
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)ethanol?
The IUPAC name of 2-(2-methoxyphenoxy)ethanol (CID 3804139) is 2-(2-methoxyphenoxy)ethanol.
What is the SMILES notation for 2-(2-methoxyphenoxy)ethanol?
The canonical SMILES for 2-(2-methoxyphenoxy)ethanol is COc1ccccc1OCCO.
What is the InChIKey of 2-(2-methoxyphenoxy)ethanol?
The InChIKey is NGZBCWWJDDVXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3/c1-11-8-4-2-3-5-9(8)12-7-6-10/h2-5,10H,6-7H2,1H3.
What are the key properties of 2-(2-methoxyphenoxy)ethanol?
2-(2-methoxyphenoxy)ethanol has a molecular weight of 168.19 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)ethanol is sourced from PubChem (CID 3804139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).