methyl 4-chloro-5-methoxy-1-benzofuran-2-carboxylate

C11H9ClO4 — CID 14916652

IUPACmethyl 4-chloro-5-methoxy-1-benzofuran-2-carboxylate
SMILESCOC(=O)c1cc2c(Cl)c(OC)ccc2o1
InChIInChI=1S/C11H9ClO4/c1-14-8-4-3-7-6(10(8)12)5-9(16-7)11(13)15-2/h3-5H,1-2H3
InChIKeyYQCPQOKSPHYJDA-UHFFFAOYSA-N
MW240.64 g/mol
LogP2.88
Rot. Bonds2

About methyl 4-chloro-5-methoxy-1-benzofuran-2-carboxylate

methyl 4-chloro-5-methoxy-1-benzofuran-2-carboxylate (PubChem CID 14916652) has the molecular formula C11H9ClO4 and a molecular weight of 240.64 g/mol. Its IUPAC name is methyl 4-chloro-5-methoxy-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-5-methoxy-1-benzofuran-2-carboxylate
PubChem CID14916652
Molecular FormulaC11H9ClO4
Molecular Weight240.64 g/mol
Exact Mass240.02
IUPAC Namemethyl 4-chloro-5-methoxy-1-benzofuran-2-carboxylate
SMILESCOC(=O)c1cc2c(Cl)c(OC)ccc2o1
InChIInChI=1S/C11H9ClO4/c1-14-8-4-3-7-6(10(8)12)5-9(16-7)11(13)15-2/h3-5H,1-2H3
InChIKeyYQCPQOKSPHYJDA-UHFFFAOYSA-N
XLogP2.88
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.64
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-methyl-1-benzofuran-2-carboxylate
CID 165463716
methyl 4-bromo-5-fluoro-1-benzofuran-2-carboxylate
CID 131521886
methyl 4-chloro-6-isocyanato-5-methoxy-1-benzofuran-2-carboxylate
CID 169355547
methyl 4-chloro-6-methyl-1-benzofuran-2-carboxylate
CID 165469200
methyl 6-methyl-4-oxochromene-2-carboxylate
CID 7021690
methyl 5-chloro-6-methoxynaphthalene-2-carboxylate
CID 154003587
1-(4-methoxy-1-benzofuran-2-yl)ethanone
CID 3042306
methyl 5-fluoro-6-methoxy-1-benzofuran-2-carboxylate
CID 165463721
methyl 4-chloro-5-methoxy-1-methylindole-2-carboxylate
CID 130408728
2-bromo-1-(5-chloro-4,6-dimethoxy-1-benzofuran-2-yl)ethanone
CID 118070679
methyl 2,6-dichloro-3-methoxybenzoate
CID 72942143
methyl 2-chloro-3-methoxybenzoate
CID 10262208

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-5-methoxy-1-benzofuran-2-carboxylate?
The IUPAC name of methyl 4-chloro-5-methoxy-1-benzofuran-2-carboxylate (CID 14916652) is methyl 4-chloro-5-methoxy-1-benzofuran-2-carboxylate.
What is the SMILES notation for methyl 4-chloro-5-methoxy-1-benzofuran-2-carboxylate?
The canonical SMILES for methyl 4-chloro-5-methoxy-1-benzofuran-2-carboxylate is COC(=O)c1cc2c(Cl)c(OC)ccc2o1.
What is the InChIKey of methyl 4-chloro-5-methoxy-1-benzofuran-2-carboxylate?
The InChIKey is YQCPQOKSPHYJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClO4/c1-14-8-4-3-7-6(10(8)12)5-9(16-7)11(13)15-2/h3-5H,1-2H3.
What are the key properties of methyl 4-chloro-5-methoxy-1-benzofuran-2-carboxylate?
methyl 4-chloro-5-methoxy-1-benzofuran-2-carboxylate has a molecular weight of 240.64 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-5-methoxy-1-benzofuran-2-carboxylate is sourced from PubChem (CID 14916652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).