(2-methoxyphenyl) 2-methoxyacetate

C10H12O4 — CID 53423767

IUPAC(2-methoxyphenyl) 2-methoxyacetate
SMILESCOCC(=O)Oc1ccccc1OC
InChIInChI=1S/C10H12O4/c1-12-7-10(11)14-9-6-4-3-5-8(9)13-2/h3-6H,7H2,1-2H3
InChIKeyAEIIRLYSOCUVKH-UHFFFAOYSA-N
MW196.20 g/mol
LogP1.25
Rot. Bonds4

About (2-methoxyphenyl) 2-methoxyacetate

(2-methoxyphenyl) 2-methoxyacetate (PubChem CID 53423767) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is (2-methoxyphenyl) 2-methoxyacetate.

Molecular Properties

Compound Name(2-methoxyphenyl) 2-methoxyacetate
PubChem CID53423767
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name(2-methoxyphenyl) 2-methoxyacetate
SMILESCOCC(=O)Oc1ccccc1OC
InChIInChI=1S/C10H12O4/c1-12-7-10(11)14-9-6-4-3-5-8(9)13-2/h3-6H,7H2,1-2H3
InChIKeyAEIIRLYSOCUVKH-UHFFFAOYSA-N
XLogP1.25
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-chlorophenyl) 2-methoxyacetate
CID 542147
naphthalen-1-yl 2-methoxyacetate
CID 19894343
naphthalen-1-yl 2-methoxyacetate;hydrochloride
CID 19894342
2-methylpropyl 2-[2-(2-methoxyphenoxy)-2-oxoethoxy]acetate
CID 91712098
(2-methoxyphenyl) 2-(4-bromophenoxy)acetate
CID 78777315
(2-benzoylphenyl) 2-methoxyacetate
CID 150870757
(2-methoxyphenyl) 2-methylpropanoate
CID 836904
[2-(2-acetyloxyacetyl)oxyphenyl] 2-acetyloxyacetate
CID 91701441
(2-methoxyphenyl) octanoate
CID 68908014
(2-methoxyphenyl) dodecanoate
CID 139927041
(2-methoxyphenyl) 2-naphthalen-1-ylacetate
CID 836864
(2-methoxyphenyl) 2-(3,4,5-trimethoxyphenyl)acetate
CID 8778510

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl) 2-methoxyacetate?
The IUPAC name of (2-methoxyphenyl) 2-methoxyacetate (CID 53423767) is (2-methoxyphenyl) 2-methoxyacetate.
What is the SMILES notation for (2-methoxyphenyl) 2-methoxyacetate?
The canonical SMILES for (2-methoxyphenyl) 2-methoxyacetate is COCC(=O)Oc1ccccc1OC.
What is the InChIKey of (2-methoxyphenyl) 2-methoxyacetate?
The InChIKey is AEIIRLYSOCUVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c1-12-7-10(11)14-9-6-4-3-5-8(9)13-2/h3-6H,7H2,1-2H3.
What are the key properties of (2-methoxyphenyl) 2-methoxyacetate?
(2-methoxyphenyl) 2-methoxyacetate has a molecular weight of 196.20 g/mol, XLogP of 1.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl) 2-methoxyacetate is sourced from PubChem (CID 53423767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).