methyl 7-chloro-4-methyl-2,3-dihydro-1-benzofuran-6-carboxylate

C11H11ClO3 — CID 170045127

IUPACmethyl 7-chloro-4-methyl-2,3-dihydro-1-benzofuran-6-carboxylate
SMILESCOC(=O)c1cc(C)c2c(c1Cl)OCC2
InChIInChI=1S/C11H11ClO3/c1-6-5-8(11(13)14-2)9(12)10-7(6)3-4-15-10/h5H,3-4H2,1-2H3
InChIKeyMSYSFDQBNOBVTN-UHFFFAOYSA-N
MW226.66 g/mol
LogP2.37
Rot. Bonds1

About methyl 7-chloro-4-methyl-2,3-dihydro-1-benzofuran-6-carboxylate

methyl 7-chloro-4-methyl-2,3-dihydro-1-benzofuran-6-carboxylate (PubChem CID 170045127) has the molecular formula C11H11ClO3 and a molecular weight of 226.66 g/mol. Its IUPAC name is methyl 7-chloro-4-methyl-2,3-dihydro-1-benzofuran-6-carboxylate.

Molecular Properties

Compound Namemethyl 7-chloro-4-methyl-2,3-dihydro-1-benzofuran-6-carboxylate
PubChem CID170045127
Molecular FormulaC11H11ClO3
Molecular Weight226.66 g/mol
Exact Mass226.04
IUPAC Namemethyl 7-chloro-4-methyl-2,3-dihydro-1-benzofuran-6-carboxylate
SMILESCOC(=O)c1cc(C)c2c(c1Cl)OCC2
InChIInChI=1S/C11H11ClO3/c1-6-5-8(11(13)14-2)9(12)10-7(6)3-4-15-10/h5H,3-4H2,1-2H3
InChIKeyMSYSFDQBNOBVTN-UHFFFAOYSA-N
XLogP2.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 7-chloro-4-methyl-2,3-dihydro-1-benzofuran-6-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 5-bromo-4-chloro-2,3-dihydro-1-benzofuran-7-carboxylate
CID 135377329
methyl 6-acetamido-7-chloro-2,3,4,5-tetrahydro-1-benzoxepine-9-carboxylate
CID 19853900
dimethyl 5-hydroxy-3,4-dihydro-2H-chromene-7,8-dicarboxylate
CID 10539657
methyl 6-chloro-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxylate
CID 10681590
methyl 2,3-dihydro-1-benzofuran-4-carboxylate
CID 130045390
methyl 4-(1-hydroxyethyl)-2,3-dihydrofuro[3,2-c]pyridine-7-carboxylate
CID 166155868
methyl 4-carbonochloridoyl-2-methylbenzoate
CID 141487555
ethyl 2-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)-2-oxoacetate
CID 117458127
methyl 2,6-dichloro-5-methylpyridine-3-carboxylate
CID 14364375
methyl 7-bromo-2,3-dihydro-1-benzofuran-5-carboxylate
CID 131617097
methyl 2-amino-3-chloro-4-hydroxy-5-methylbenzoate
CID 174640737
(4-chloro-3-methoxycarbonyl-5-methylphenyl)boronic acid
CID 163201394

Frequently Asked Questions

What is the IUPAC name of methyl 7-chloro-4-methyl-2,3-dihydro-1-benzofuran-6-carboxylate?
The IUPAC name of methyl 7-chloro-4-methyl-2,3-dihydro-1-benzofuran-6-carboxylate (CID 170045127) is methyl 7-chloro-4-methyl-2,3-dihydro-1-benzofuran-6-carboxylate.
What is the SMILES notation for methyl 7-chloro-4-methyl-2,3-dihydro-1-benzofuran-6-carboxylate?
The canonical SMILES for methyl 7-chloro-4-methyl-2,3-dihydro-1-benzofuran-6-carboxylate is COC(=O)c1cc(C)c2c(c1Cl)OCC2.
What is the InChIKey of methyl 7-chloro-4-methyl-2,3-dihydro-1-benzofuran-6-carboxylate?
The InChIKey is MSYSFDQBNOBVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO3/c1-6-5-8(11(13)14-2)9(12)10-7(6)3-4-15-10/h5H,3-4H2,1-2H3.
What are the key properties of methyl 7-chloro-4-methyl-2,3-dihydro-1-benzofuran-6-carboxylate?
methyl 7-chloro-4-methyl-2,3-dihydro-1-benzofuran-6-carboxylate has a molecular weight of 226.66 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-chloro-4-methyl-2,3-dihydro-1-benzofuran-6-carboxylate is sourced from PubChem (CID 170045127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).