methyl 7-methoxy-5-methyl-2,3-dihydro-1-benzofuran-3-carboxylate

C12H14O4 — CID 165462888

IUPACmethyl 7-methoxy-5-methyl-2,3-dihydro-1-benzofuran-3-carboxylate
SMILESCOC(=O)C1COc2c(OC)cc(C)cc21
InChIInChI=1S/C12H14O4/c1-7-4-8-9(12(13)15-3)6-16-11(8)10(5-7)14-2/h4-5,9H,6H2,1-3H3
InChIKeyGSLLZLFJHJOYBY-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.65
Rot. Bonds2

About methyl 7-methoxy-5-methyl-2,3-dihydro-1-benzofuran-3-carboxylate

methyl 7-methoxy-5-methyl-2,3-dihydro-1-benzofuran-3-carboxylate (PubChem CID 165462888) has the molecular formula C12H14O4 and a molecular weight of 222.24 g/mol. Its IUPAC name is methyl 7-methoxy-5-methyl-2,3-dihydro-1-benzofuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 7-methoxy-5-methyl-2,3-dihydro-1-benzofuran-3-carboxylate
PubChem CID165462888
Molecular FormulaC12H14O4
Molecular Weight222.24 g/mol
Exact Mass222.09
IUPAC Namemethyl 7-methoxy-5-methyl-2,3-dihydro-1-benzofuran-3-carboxylate
SMILESCOC(=O)C1COc2c(OC)cc(C)cc21
InChIInChI=1S/C12H14O4/c1-7-4-8-9(12(13)15-3)6-16-11(8)10(5-7)14-2/h4-5,9H,6H2,1-3H3
InChIKeyGSLLZLFJHJOYBY-UHFFFAOYSA-N
XLogP1.65
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 7-methoxy-5-methyl-2,3-dihydro-1-benzofuran-3-carboxylate?
The IUPAC name of methyl 7-methoxy-5-methyl-2,3-dihydro-1-benzofuran-3-carboxylate (CID 165462888) is methyl 7-methoxy-5-methyl-2,3-dihydro-1-benzofuran-3-carboxylate.
What is the SMILES notation for methyl 7-methoxy-5-methyl-2,3-dihydro-1-benzofuran-3-carboxylate?
The canonical SMILES for methyl 7-methoxy-5-methyl-2,3-dihydro-1-benzofuran-3-carboxylate is COC(=O)C1COc2c(OC)cc(C)cc21.
What is the InChIKey of methyl 7-methoxy-5-methyl-2,3-dihydro-1-benzofuran-3-carboxylate?
The InChIKey is GSLLZLFJHJOYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O4/c1-7-4-8-9(12(13)15-3)6-16-11(8)10(5-7)14-2/h4-5,9H,6H2,1-3H3.
What are the key properties of methyl 7-methoxy-5-methyl-2,3-dihydro-1-benzofuran-3-carboxylate?
methyl 7-methoxy-5-methyl-2,3-dihydro-1-benzofuran-3-carboxylate has a molecular weight of 222.24 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-methoxy-5-methyl-2,3-dihydro-1-benzofuran-3-carboxylate is sourced from PubChem (CID 165462888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).