ethyl 6-methoxy-4-methyl-1,3-dioxo-2-benzofuran-5-carboxylate

C13H12O6 — CID 23241620

IUPACethyl 6-methoxy-4-methyl-1,3-dioxo-2-benzofuran-5-carboxylate
SMILESCCOC(=O)c1c(OC)cc2c(c1C)C(=O)OC2=O
InChIInChI=1S/C13H12O6/c1-4-18-12(15)10-6(2)9-7(5-8(10)17-3)11(14)19-13(9)16/h5H,4H2,1-3H3
InChIKeyRWCXYDLCRBFFRF-UHFFFAOYSA-N
MW264.23 g/mol
LogP1.49
Rot. Bonds3

About ethyl 6-methoxy-4-methyl-1,3-dioxo-2-benzofuran-5-carboxylate

ethyl 6-methoxy-4-methyl-1,3-dioxo-2-benzofuran-5-carboxylate (PubChem CID 23241620) has the molecular formula C13H12O6 and a molecular weight of 264.23 g/mol. Its IUPAC name is ethyl 6-methoxy-4-methyl-1,3-dioxo-2-benzofuran-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-methoxy-4-methyl-1,3-dioxo-2-benzofuran-5-carboxylate
PubChem CID23241620
Molecular FormulaC13H12O6
Molecular Weight264.23 g/mol
Exact Mass264.06
IUPAC Nameethyl 6-methoxy-4-methyl-1,3-dioxo-2-benzofuran-5-carboxylate
SMILESCCOC(=O)c1c(OC)cc2c(c1C)C(=O)OC2=O
InChIInChI=1S/C13H12O6/c1-4-18-12(15)10-6(2)9-7(5-8(10)17-3)11(14)19-13(9)16/h5H,4H2,1-3H3
InChIKeyRWCXYDLCRBFFRF-UHFFFAOYSA-N
XLogP1.49
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-iodo-4,6-dimethoxy-2-methylbenzoate
CID 10871806
ethyl 3,5,6-trimethoxy-1-methyl-9,10-dioxo-7-[(2R,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]anthracene-2-carboxylate
CID 22853408
ethyl 4-iodo-2,6-dimethoxybenzoate
CID 22933011
1-O-ethyl 4-O-methyl 2,6-dimethoxybenzene-1,4-dicarboxylate
CID 11402920
ethyl 2-fluoro-4,6-dimethoxybenzoate
CID 134644513
ethyl 4-formyl-2-methoxy-6-methylbenzoate
CID 171024646
diethyl 2,6-dimethyl-4-(2,4,6-trimethoxyphenyl)pyridine-3,5-dicarboxylate
CID 135122096
ethyl 2-(chloromethyl)-4-fluoro-6-methoxybenzoate
CID 171019605
ethyl 2-amino-5-(2-methoxyphenyl)-4-methylthiophene-3-carboxylate
CID 10565518
ethyl 3-chloro-2-formyl-4,6-dimethoxybenzoate
CID 102368936
butyl 4-hydroxy-6-methoxy-2,3-dimethylbenzoate
CID 176829282
ethyl 4-methoxy-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 134680122

Frequently Asked Questions

What is the IUPAC name of ethyl 6-methoxy-4-methyl-1,3-dioxo-2-benzofuran-5-carboxylate?
The IUPAC name of ethyl 6-methoxy-4-methyl-1,3-dioxo-2-benzofuran-5-carboxylate (CID 23241620) is ethyl 6-methoxy-4-methyl-1,3-dioxo-2-benzofuran-5-carboxylate.
What is the SMILES notation for ethyl 6-methoxy-4-methyl-1,3-dioxo-2-benzofuran-5-carboxylate?
The canonical SMILES for ethyl 6-methoxy-4-methyl-1,3-dioxo-2-benzofuran-5-carboxylate is CCOC(=O)c1c(OC)cc2c(c1C)C(=O)OC2=O.
What is the InChIKey of ethyl 6-methoxy-4-methyl-1,3-dioxo-2-benzofuran-5-carboxylate?
The InChIKey is RWCXYDLCRBFFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O6/c1-4-18-12(15)10-6(2)9-7(5-8(10)17-3)11(14)19-13(9)16/h5H,4H2,1-3H3.
What are the key properties of ethyl 6-methoxy-4-methyl-1,3-dioxo-2-benzofuran-5-carboxylate?
ethyl 6-methoxy-4-methyl-1,3-dioxo-2-benzofuran-5-carboxylate has a molecular weight of 264.23 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methoxy-4-methyl-1,3-dioxo-2-benzofuran-5-carboxylate is sourced from PubChem (CID 23241620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).