2-(2-methylphenoxy)acetate

C9H9O3- — CID 3388588

IUPAC2-(2-methylphenoxy)acetate
SMILESCc1ccccc1OCC(=O)[O-]
InChIInChI=1S/C9H10O3/c1-7-4-2-3-5-8(7)12-6-9(10)11/h2-5H,6H2,1H3,(H,10,11)/p-1
InChIKeyQJVXBRUGKLCUMY-UHFFFAOYSA-M
MW165.17 g/mol
LogP0.12
Rot. Bonds3

About 2-(2-methylphenoxy)acetate

2-(2-methylphenoxy)acetate (PubChem CID 3388588) has the molecular formula C9H9O3- and a molecular weight of 165.17 g/mol. Its IUPAC name is 2-(2-methylphenoxy)acetate.

Molecular Properties

Compound Name2-(2-methylphenoxy)acetate
PubChem CID3388588
Molecular FormulaC9H9O3-
Molecular Weight165.17 g/mol
Exact Mass165.06
IUPAC Name2-(2-methylphenoxy)acetate
SMILESCc1ccccc1OCC(=O)[O-]
InChIInChI=1S/C9H10O3/c1-7-4-2-3-5-8(7)12-6-9(10)11/h2-5H,6H2,1H3,(H,10,11)/p-1
InChIKeyQJVXBRUGKLCUMY-UHFFFAOYSA-M
XLogP0.12
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.17
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)acetate?
The IUPAC name of 2-(2-methylphenoxy)acetate (CID 3388588) is 2-(2-methylphenoxy)acetate.
What is the SMILES notation for 2-(2-methylphenoxy)acetate?
The canonical SMILES for 2-(2-methylphenoxy)acetate is Cc1ccccc1OCC(=O)[O-].
What is the InChIKey of 2-(2-methylphenoxy)acetate?
The InChIKey is QJVXBRUGKLCUMY-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H10O3/c1-7-4-2-3-5-8(7)12-6-9(10)11/h2-5H,6H2,1H3,(H,10,11)/p-1.
What are the key properties of 2-(2-methylphenoxy)acetate?
2-(2-methylphenoxy)acetate has a molecular weight of 165.17 g/mol, XLogP of 0.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)acetate is sourced from PubChem (CID 3388588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).