2-oxoethyl 2-methoxybenzoate

C10H10O4 — CID 87871956

IUPAC2-oxoethyl 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)OCC=O
InChIInChI=1S/C10H10O4/c1-13-9-5-3-2-4-8(9)10(12)14-7-6-11/h2-6H,7H2,1H3
InChIKeyTUNMXLDIWAPIIP-UHFFFAOYSA-N
MW194.19 g/mol
LogP1.05
Rot. Bonds4

About 2-oxoethyl 2-methoxybenzoate

2-oxoethyl 2-methoxybenzoate (PubChem CID 87871956) has the molecular formula C10H10O4 and a molecular weight of 194.19 g/mol. Its IUPAC name is 2-oxoethyl 2-methoxybenzoate.

Molecular Properties

Compound Name2-oxoethyl 2-methoxybenzoate
PubChem CID87871956
Molecular FormulaC10H10O4
Molecular Weight194.19 g/mol
Exact Mass194.06
IUPAC Name2-oxoethyl 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)OCC=O
InChIInChI=1S/C10H10O4/c1-13-9-5-3-2-4-8(9)10(12)14-7-6-11/h2-6H,7H2,1H3
InChIKeyTUNMXLDIWAPIIP-UHFFFAOYSA-N
XLogP1.05
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(E)-pent-2-en-4-ynyl] 2-methoxybenzoate
CID 5353063
[3-(2-methoxybenzoyl)oxy-2,2-bis[(2-methoxybenzoyl)oxymethyl]propyl] 2-methoxybenzoate
CID 54498561
[2-(2-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate
CID 7811189
2-oxoethyl 2-(methylamino)benzoate
CID 143044559
ethane;methyl 2-methoxybenzoate
CID 178037044
2-methyl-3-(2-oxoethoxycarbonyl)benzoic acid
CID 174713787
prop-2-enyl 2-hydroxy-3-methoxybenzoate
CID 142667265
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
(4-phenylphenyl)methyl 2-methoxybenzoate
CID 18290046
2-methoxybenzohydrazide
CID 24051
diethoxyphosphorylmethyl 2-methoxybenzoate
CID 57457787
2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl 2-methoxybenzoate
CID 139804906

Frequently Asked Questions

What is the IUPAC name of 2-oxoethyl 2-methoxybenzoate?
The IUPAC name of 2-oxoethyl 2-methoxybenzoate (CID 87871956) is 2-oxoethyl 2-methoxybenzoate.
What is the SMILES notation for 2-oxoethyl 2-methoxybenzoate?
The canonical SMILES for 2-oxoethyl 2-methoxybenzoate is COc1ccccc1C(=O)OCC=O.
What is the InChIKey of 2-oxoethyl 2-methoxybenzoate?
The InChIKey is TUNMXLDIWAPIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4/c1-13-9-5-3-2-4-8(9)10(12)14-7-6-11/h2-6H,7H2,1H3.
What are the key properties of 2-oxoethyl 2-methoxybenzoate?
2-oxoethyl 2-methoxybenzoate has a molecular weight of 194.19 g/mol, XLogP of 1.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxoethyl 2-methoxybenzoate is sourced from PubChem (CID 87871956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).