methyl 2-(4-methylphenoxy)acetate

C10H12O3 — CID 601946

IUPACmethyl 2-(4-methylphenoxy)acetate
SMILESCOC(=O)COc1ccc(C)cc1
InChIInChI=1S/C10H12O3/c1-8-3-5-9(6-4-8)13-7-10(11)12-2/h3-6H,7H2,1-2H3
InChIKeyBUKHBVPVKOXGSO-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.55
Rot. Bonds3

About methyl 2-(4-methylphenoxy)acetate

methyl 2-(4-methylphenoxy)acetate (PubChem CID 601946) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is methyl 2-(4-methylphenoxy)acetate.

Molecular Properties

Compound Namemethyl 2-(4-methylphenoxy)acetate
PubChem CID601946
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Namemethyl 2-(4-methylphenoxy)acetate
SMILESCOC(=O)COc1ccc(C)cc1
InChIInChI=1S/C10H12O3/c1-8-3-5-9(6-4-8)13-7-10(11)12-2/h3-6H,7H2,1-2H3
InChIKeyBUKHBVPVKOXGSO-UHFFFAOYSA-N
XLogP1.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methylphenoxy)acetate?
The IUPAC name of methyl 2-(4-methylphenoxy)acetate (CID 601946) is methyl 2-(4-methylphenoxy)acetate.
What is the SMILES notation for methyl 2-(4-methylphenoxy)acetate?
The canonical SMILES for methyl 2-(4-methylphenoxy)acetate is COC(=O)COc1ccc(C)cc1.
What is the InChIKey of methyl 2-(4-methylphenoxy)acetate?
The InChIKey is BUKHBVPVKOXGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-8-3-5-9(6-4-8)13-7-10(11)12-2/h3-6H,7H2,1-2H3.
What are the key properties of methyl 2-(4-methylphenoxy)acetate?
methyl 2-(4-methylphenoxy)acetate has a molecular weight of 180.20 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methylphenoxy)acetate is sourced from PubChem (CID 601946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).