methyl 7-methoxy-3-oxo-1-benzofuran-2-carboxylate

C11H10O5 — CID 22435586

IUPACmethyl 7-methoxy-3-oxo-1-benzofuran-2-carboxylate
SMILESCOC(=O)C1Oc2c(OC)cccc2C1=O
InChIInChI=1S/C11H10O5/c1-14-7-5-3-4-6-8(12)10(11(13)15-2)16-9(6)7/h3-5,10H,1-2H3
InChIKeyKNHCLHBYZOVNDR-UHFFFAOYSA-N
MW222.20 g/mol
LogP0.81
Rot. Bonds2

About methyl 7-methoxy-3-oxo-1-benzofuran-2-carboxylate

methyl 7-methoxy-3-oxo-1-benzofuran-2-carboxylate (PubChem CID 22435586) has the molecular formula C11H10O5 and a molecular weight of 222.20 g/mol. Its IUPAC name is methyl 7-methoxy-3-oxo-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Namemethyl 7-methoxy-3-oxo-1-benzofuran-2-carboxylate
PubChem CID22435586
Molecular FormulaC11H10O5
Molecular Weight222.20 g/mol
Exact Mass222.05
IUPAC Namemethyl 7-methoxy-3-oxo-1-benzofuran-2-carboxylate
SMILESCOC(=O)C1Oc2c(OC)cccc2C1=O
InChIInChI=1S/C11H10O5/c1-14-7-5-3-4-6-8(12)10(11(13)15-2)16-9(6)7/h3-5,10H,1-2H3
InChIKeyKNHCLHBYZOVNDR-UHFFFAOYSA-N
XLogP0.81
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

8-methoxy-4-oxo-2,3-dihydrochromene-2-carboxylic acid
CID 58733109
7-methoxy-2-(methoxymethoxymethyl)-1-benzofuran-3-one
CID 18351832
methyl 2-(8-methoxy-4-oxo-2,3-dihydrochromen-3-yl)acetate
CID 10922937
methyl 6-hydroxy-3-oxo-1-benzofuran-2-carboxylate
CID 144933178
3,8-dimethoxy-2,3-dihydrochromen-4-one
CID 130039338
(3S)-3-hydroxy-4-methoxy-3H-2-benzofuran-1-one
CID 135372257
(3R)-3-hydroxy-8,16-dimethoxy-10,14-dioxatricyclo[13.4.0.04,9]nonadeca-1(15),4(9),5,7,16,18-hexaen-2-one
CID 134962846
7-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-3-oxo-1-benzofuran-2-carboxamide
CID 70382764
methyl 7-methoxy-3-oxo-2-propan-2-yl-1-benzofuran-2-carboxylate
CID 18351592
4-methoxy-3-methyl-3H-2-benzofuran-1-one
CID 585356
8-methoxy-1,3-benzodioxin-4-one
CID 141355094
sodium (E)-methoxy-(7-methoxy-3-oxo-1-benzofuran-2-ylidene)methanolate
CID 23678660

Frequently Asked Questions

What is the IUPAC name of methyl 7-methoxy-3-oxo-1-benzofuran-2-carboxylate?
The IUPAC name of methyl 7-methoxy-3-oxo-1-benzofuran-2-carboxylate (CID 22435586) is methyl 7-methoxy-3-oxo-1-benzofuran-2-carboxylate.
What is the SMILES notation for methyl 7-methoxy-3-oxo-1-benzofuran-2-carboxylate?
The canonical SMILES for methyl 7-methoxy-3-oxo-1-benzofuran-2-carboxylate is COC(=O)C1Oc2c(OC)cccc2C1=O.
What is the InChIKey of methyl 7-methoxy-3-oxo-1-benzofuran-2-carboxylate?
The InChIKey is KNHCLHBYZOVNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O5/c1-14-7-5-3-4-6-8(12)10(11(13)15-2)16-9(6)7/h3-5,10H,1-2H3.
What are the key properties of methyl 7-methoxy-3-oxo-1-benzofuran-2-carboxylate?
methyl 7-methoxy-3-oxo-1-benzofuran-2-carboxylate has a molecular weight of 222.20 g/mol, XLogP of 0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-methoxy-3-oxo-1-benzofuran-2-carboxylate is sourced from PubChem (CID 22435586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).