methyl 5-chloro-2-methyl-1-benzofuran-7-carboxylate

C11H9ClO3 — CID 15832151

IUPACmethyl 5-chloro-2-methyl-1-benzofuran-7-carboxylate
SMILESCOC(=O)c1cc(Cl)cc2cc(C)oc12
InChIInChI=1S/C11H9ClO3/c1-6-3-7-4-8(12)5-9(10(7)15-6)11(13)14-2/h3-5H,1-2H3
InChIKeySXGZXHKTARDWHP-UHFFFAOYSA-N
MW224.64 g/mol
LogP3.18
Rot. Bonds1

About methyl 5-chloro-2-methyl-1-benzofuran-7-carboxylate

methyl 5-chloro-2-methyl-1-benzofuran-7-carboxylate (PubChem CID 15832151) has the molecular formula C11H9ClO3 and a molecular weight of 224.64 g/mol. Its IUPAC name is methyl 5-chloro-2-methyl-1-benzofuran-7-carboxylate.

Molecular Properties

Compound Namemethyl 5-chloro-2-methyl-1-benzofuran-7-carboxylate
PubChem CID15832151
Molecular FormulaC11H9ClO3
Molecular Weight224.64 g/mol
Exact Mass224.02
IUPAC Namemethyl 5-chloro-2-methyl-1-benzofuran-7-carboxylate
SMILESCOC(=O)c1cc(Cl)cc2cc(C)oc12
InChIInChI=1S/C11H9ClO3/c1-6-3-7-4-8(12)5-9(10(7)15-6)11(13)14-2/h3-5H,1-2H3
InChIKeySXGZXHKTARDWHP-UHFFFAOYSA-N
XLogP3.18
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.64
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(1S)-1-aminoethyl]-5-chloro-1-benzofuran-7-carboxylate
CID 164866482
methyl 5-chloro-2-(2,4-dichlorophenyl)-1-benzofuran-7-carboxylate
CID 59225569
methyl 6,8-dichloro-2-oxochromene-3-carboxylate
CID 75527754
methyl 3,5-dichloro-2-(2,4-dichloro-6-methoxycarbonylphenyl)benzoate
CID 2818076
methyl 2,5-bis(chloromethyl)-1-benzofuran-7-carboxylate
CID 11701778
methyl 5-chloro-2-methyl-3-nitrosobenzoate
CID 123722314
methyl 5-chloro-2-methyl-6-(3-methylsulfanylpropyl)-1-benzofuran-7-carboxylate
CID 90417510
methyl 3-bromo-2,5-dichlorobenzoate
CID 57362641
methyl 8-bromo-3-chloronaphthalene-1-carboxylate
CID 154726007
methyl 5-chloro-2-[(1-oxo-2,7-naphthyridin-2-yl)methyl]-1-benzofuran-7-carboxylate;methyl 4-methylpyridine-3-carboxylate
CID 175764930
methyl 5-chloro-2-[(5-oxopyrido[4,3-d]pyrimidin-6-yl)methyl]-1-benzofuran-7-carboxylate
CID 164866738
methyl 3-bromo-5-chloro-2-hydroxybenzoate
CID 53419622

Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-2-methyl-1-benzofuran-7-carboxylate?
The IUPAC name of methyl 5-chloro-2-methyl-1-benzofuran-7-carboxylate (CID 15832151) is methyl 5-chloro-2-methyl-1-benzofuran-7-carboxylate.
What is the SMILES notation for methyl 5-chloro-2-methyl-1-benzofuran-7-carboxylate?
The canonical SMILES for methyl 5-chloro-2-methyl-1-benzofuran-7-carboxylate is COC(=O)c1cc(Cl)cc2cc(C)oc12.
What is the InChIKey of methyl 5-chloro-2-methyl-1-benzofuran-7-carboxylate?
The InChIKey is SXGZXHKTARDWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClO3/c1-6-3-7-4-8(12)5-9(10(7)15-6)11(13)14-2/h3-5H,1-2H3.
What are the key properties of methyl 5-chloro-2-methyl-1-benzofuran-7-carboxylate?
methyl 5-chloro-2-methyl-1-benzofuran-7-carboxylate has a molecular weight of 224.64 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-2-methyl-1-benzofuran-7-carboxylate is sourced from PubChem (CID 15832151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).