methyl 5-methoxy-2,3-dihydro-1-benzofuran-4-carboxylate

C11H12O4 — CID 10081776

IUPACmethyl 5-methoxy-2,3-dihydro-1-benzofuran-4-carboxylate
SMILESCOC(=O)c1c(OC)ccc2c1CCO2
InChIInChI=1S/C11H12O4/c1-13-9-4-3-8-7(5-6-15-8)10(9)11(12)14-2/h3-4H,5-6H2,1-2H3
InChIKeyGQTLVYQOKZYPMG-UHFFFAOYSA-N
MW208.21 g/mol
LogP1.42
Rot. Bonds2

About methyl 5-methoxy-2,3-dihydro-1-benzofuran-4-carboxylate

methyl 5-methoxy-2,3-dihydro-1-benzofuran-4-carboxylate (PubChem CID 10081776) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is methyl 5-methoxy-2,3-dihydro-1-benzofuran-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-methoxy-2,3-dihydro-1-benzofuran-4-carboxylate
PubChem CID10081776
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Namemethyl 5-methoxy-2,3-dihydro-1-benzofuran-4-carboxylate
SMILESCOC(=O)c1c(OC)ccc2c1CCO2
InChIInChI=1S/C11H12O4/c1-13-9-4-3-8-7(5-6-15-8)10(9)11(12)14-2/h3-4H,5-6H2,1-2H3
InChIKeyGQTLVYQOKZYPMG-UHFFFAOYSA-N
XLogP1.42
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-2,3-dihydro-1-benzofuran-4-ol
CID 105432938
4-bromo-5-methoxy-2,3-dihydro-1-benzofuran
CID 83918290
5-methoxy-2,3-dihydro-1-benzofuran-4-amine
CID 82373067
methyl 2,3-dihydro-1-benzofuran-4-carboxylate
CID 130045390
1-(6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)ethanone
CID 84675883
(2-methoxyphenyl) 2,3-dihydro-1-benzofuran-5-carboxylate
CID 47160994
methyl 3,6-dimethoxy-2-methylbenzoate
CID 10536412
1-(2,3-dihydro-1-benzofuran-5-yl)-3-(3,4-dimethoxyphenyl)urea
CID 110866492
1-(5-chloro-2,3-dihydro-1-benzofuran-4-yl)-2-(methylamino)ethanone
CID 117324410
methyl (2Z)-2-hydroxyimino-5-methoxy-1-oxo-3H-indene-4-carboxylate
CID 121016122
methyl 4-oxo-2,3-dihydrochromene-7-carboxylate
CID 11769654
methyl 4-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carbonylamino)benzoate
CID 113200071

Frequently Asked Questions

What is the IUPAC name of methyl 5-methoxy-2,3-dihydro-1-benzofuran-4-carboxylate?
The IUPAC name of methyl 5-methoxy-2,3-dihydro-1-benzofuran-4-carboxylate (CID 10081776) is methyl 5-methoxy-2,3-dihydro-1-benzofuran-4-carboxylate.
What is the SMILES notation for methyl 5-methoxy-2,3-dihydro-1-benzofuran-4-carboxylate?
The canonical SMILES for methyl 5-methoxy-2,3-dihydro-1-benzofuran-4-carboxylate is COC(=O)c1c(OC)ccc2c1CCO2.
What is the InChIKey of methyl 5-methoxy-2,3-dihydro-1-benzofuran-4-carboxylate?
The InChIKey is GQTLVYQOKZYPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4/c1-13-9-4-3-8-7(5-6-15-8)10(9)11(12)14-2/h3-4H,5-6H2,1-2H3.
What are the key properties of methyl 5-methoxy-2,3-dihydro-1-benzofuran-4-carboxylate?
methyl 5-methoxy-2,3-dihydro-1-benzofuran-4-carboxylate has a molecular weight of 208.21 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methoxy-2,3-dihydro-1-benzofuran-4-carboxylate is sourced from PubChem (CID 10081776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).