(4-methylphenyl) 2-methoxyacetate

C10H12O3 — CID 142940402

IUPAC(4-methylphenyl) 2-methoxyacetate
SMILESCOCC(=O)Oc1ccc(C)cc1
InChIInChI=1S/C10H12O3/c1-8-3-5-9(6-4-8)13-10(11)7-12-2/h3-6H,7H2,1-2H3
InChIKeyLKNYGRNZJGXRHT-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.55
Rot. Bonds3

About (4-methylphenyl) 2-methoxyacetate

(4-methylphenyl) 2-methoxyacetate (PubChem CID 142940402) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is (4-methylphenyl) 2-methoxyacetate.

Molecular Properties

Compound Name(4-methylphenyl) 2-methoxyacetate
PubChem CID142940402
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name(4-methylphenyl) 2-methoxyacetate
SMILESCOCC(=O)Oc1ccc(C)cc1
InChIInChI=1S/C10H12O3/c1-8-3-5-9(6-4-8)13-10(11)7-12-2/h3-6H,7H2,1-2H3
InChIKeyLKNYGRNZJGXRHT-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(4-chlorophenyl) 2-methoxyacetate
CID 849221
bis(4-methylphenyl) butanedioate
CID 14740597
[4-(pentafluoro-λ6-sulfanyl)phenyl] 2-methoxyacetate
CID 177288047
bis(4-methylphenyl) hexanedioate
CID 521615
(4-prop-2-enoxyphenyl) 2-methoxyacetate
CID 174369154
bis[2-(4-methylphenoxy)-2-oxoethyl] 2-hydroxybutanedioate
CID 139902600
[4-(4-methylphenyl)phenyl] 2-(2-methoxyphenoxy)acetate
CID 19179231
(4-methylphenyl) 3-(4-methylphenyl)-3-oxopropanoate
CID 134919808
(4-methylphenyl) 2-ethylsulfonylacetate
CID 86219817
[4-(4-methylphenyl)phenyl] 2-(2,4-dimethylphenoxy)acetate
CID 19179319
(2-tert-butyl-4-methylphenyl) 2-methoxyacetate
CID 19184240
(4-methylphenyl) 2-(4-acetyloxyphenyl)acetate
CID 167274281

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl) 2-methoxyacetate?
The IUPAC name of (4-methylphenyl) 2-methoxyacetate (CID 142940402) is (4-methylphenyl) 2-methoxyacetate.
What is the SMILES notation for (4-methylphenyl) 2-methoxyacetate?
The canonical SMILES for (4-methylphenyl) 2-methoxyacetate is COCC(=O)Oc1ccc(C)cc1.
What is the InChIKey of (4-methylphenyl) 2-methoxyacetate?
The InChIKey is LKNYGRNZJGXRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-8-3-5-9(6-4-8)13-10(11)7-12-2/h3-6H,7H2,1-2H3.
What are the key properties of (4-methylphenyl) 2-methoxyacetate?
(4-methylphenyl) 2-methoxyacetate 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 (4-methylphenyl) 2-methoxyacetate is sourced from PubChem (CID 142940402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).