methyl 4-methyl-1-benzofuran-2-carboxylate

C11H10O3 — CID 165463716

IUPACmethyl 4-methyl-1-benzofuran-2-carboxylate
SMILESCOC(=O)c1cc2c(C)cccc2o1
InChIInChI=1S/C11H10O3/c1-7-4-3-5-9-8(7)6-10(14-9)11(12)13-2/h3-6H,1-2H3
InChIKeySXYIRYHPLFPJQW-UHFFFAOYSA-N
MW190.20 g/mol
LogP2.53
Rot. Bonds1

About methyl 4-methyl-1-benzofuran-2-carboxylate

methyl 4-methyl-1-benzofuran-2-carboxylate (PubChem CID 165463716) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is methyl 4-methyl-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-1-benzofuran-2-carboxylate
PubChem CID165463716
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Namemethyl 4-methyl-1-benzofuran-2-carboxylate
SMILESCOC(=O)c1cc2c(C)cccc2o1
InChIInChI=1S/C11H10O3/c1-7-4-3-5-9-8(7)6-10(14-9)11(12)13-2/h3-6H,1-2H3
InChIKeySXYIRYHPLFPJQW-UHFFFAOYSA-N
XLogP2.53
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methyl-1-benzofuran-2-carbonyl)oxycarbonylbenzoic acid
CID 174568181
methyl 4-(3-hydroxypropoxy)-1-benzofuran-2-carboxylate
CID 142029288
methyl 6-methyl-4-oxochromene-2-carboxylate
CID 7021690
methyl 5,6-dimethyl-1-benzofuran-2-carboxylate
CID 23271204
methyl 4-bromo-5-fluoro-1-benzofuran-2-carboxylate
CID 131521886
methyl 4-chloro-5-methoxy-1-benzofuran-2-carboxylate
CID 14916652
2-methoxy-4-methyl-1-benzofuran
CID 23058022
methyl 4-chloro-6-methyl-1-benzofuran-2-carboxylate
CID 165469200
ethyl 4-(2-aminoethyl)-1-benzofuran-2-carboxylate
CID 23049270
1-(4-methoxy-1-benzofuran-2-yl)ethanone
CID 3042306
propan-2-yl 4-chloro-1-benzofuran-2-carboxylate
CID 135395825
N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-4-methyl-1-benzofuran-2-carboxamide
CID 138026756

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-1-benzofuran-2-carboxylate?
The IUPAC name of methyl 4-methyl-1-benzofuran-2-carboxylate (CID 165463716) is methyl 4-methyl-1-benzofuran-2-carboxylate.
What is the SMILES notation for methyl 4-methyl-1-benzofuran-2-carboxylate?
The canonical SMILES for methyl 4-methyl-1-benzofuran-2-carboxylate is COC(=O)c1cc2c(C)cccc2o1.
What is the InChIKey of methyl 4-methyl-1-benzofuran-2-carboxylate?
The InChIKey is SXYIRYHPLFPJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3/c1-7-4-3-5-9-8(7)6-10(14-9)11(12)13-2/h3-6H,1-2H3.
What are the key properties of methyl 4-methyl-1-benzofuran-2-carboxylate?
methyl 4-methyl-1-benzofuran-2-carboxylate has a molecular weight of 190.20 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-1-benzofuran-2-carboxylate is sourced from PubChem (CID 165463716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).