methyl 2-hydroxy-6-(2-oxoethyl)benzoate

C10H10O4 — CID 134973194

IUPACmethyl 2-hydroxy-6-(2-oxoethyl)benzoate
SMILESCOC(=O)c1c(O)cccc1CC=O
InChIInChI=1S/C10H10O4/c1-14-10(13)9-7(5-6-11)3-2-4-8(9)12/h2-4,6,12H,5H2,1H3
InChIKeyUKCANGAKUGNAHC-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.92
Rot. Bonds3

About methyl 2-hydroxy-6-(2-oxoethyl)benzoate

methyl 2-hydroxy-6-(2-oxoethyl)benzoate (PubChem CID 134973194) has the molecular formula C10H10O4 and a molecular weight of 194.19 g/mol. Its IUPAC name is methyl 2-hydroxy-6-(2-oxoethyl)benzoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-6-(2-oxoethyl)benzoate
PubChem CID134973194
Molecular FormulaC10H10O4
Molecular Weight194.19 g/mol
Exact Mass194.06
IUPAC Namemethyl 2-hydroxy-6-(2-oxoethyl)benzoate
SMILESCOC(=O)c1c(O)cccc1CC=O
InChIInChI=1S/C10H10O4/c1-14-10(13)9-7(5-6-11)3-2-4-8(9)12/h2-4,6,12H,5H2,1H3
InChIKeyUKCANGAKUGNAHC-UHFFFAOYSA-N
XLogP0.92
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[2-(4-chlorophenyl)ethyl]-6-hydroxybenzoate
CID 46735461
methyl 2-hydroxy-6-(2-pyridin-2-ylethyl)benzoate
CID 46735346
methyl 2-fluorooxy-6-hydroxybenzoate
CID 163376786
ethyl 2-(bromomethyl)-6-hydroxybenzoate
CID 69031020
methyl 2-(3-aminooxypropoxy)-6-hydroxybenzoate
CID 141342760
2-(3-chloro-2-methoxycarbonylphenyl)acetic acid
CID 91882394
methyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-hydroxybenzoate
CID 71006903
ethyl 2-(3-bromo-2-oxopropyl)-6-hydroxybenzoate
CID 134641025
methyl 2-amino-6-[(2-methylpropan-2-yl)oxymethyl]benzoate
CID 113457440
methyl 2-[(2-hydroxyphenyl)methyl]naphthalene-1-carboxylate
CID 15483504
methyl hydrogen carbonate;2-phenylacetaldehyde
CID 175092622
dimethyl 3-hydroxy-6-methylbenzene-1,2-dicarboxylate
CID 14671429

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-6-(2-oxoethyl)benzoate?
The IUPAC name of methyl 2-hydroxy-6-(2-oxoethyl)benzoate (CID 134973194) is methyl 2-hydroxy-6-(2-oxoethyl)benzoate.
What is the SMILES notation for methyl 2-hydroxy-6-(2-oxoethyl)benzoate?
The canonical SMILES for methyl 2-hydroxy-6-(2-oxoethyl)benzoate is COC(=O)c1c(O)cccc1CC=O.
What is the InChIKey of methyl 2-hydroxy-6-(2-oxoethyl)benzoate?
The InChIKey is UKCANGAKUGNAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4/c1-14-10(13)9-7(5-6-11)3-2-4-8(9)12/h2-4,6,12H,5H2,1H3.
What are the key properties of methyl 2-hydroxy-6-(2-oxoethyl)benzoate?
methyl 2-hydroxy-6-(2-oxoethyl)benzoate has a molecular weight of 194.19 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-6-(2-oxoethyl)benzoate is sourced from PubChem (CID 134973194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).