methyl 5-chloro-6-methyl-2,3-dihydro-1-benzofuran-2-carboxylate

C11H11ClO3 — CID 165466089

IUPACmethyl 5-chloro-6-methyl-2,3-dihydro-1-benzofuran-2-carboxylate
SMILESCOC(=O)C1Cc2cc(Cl)c(C)cc2O1
InChIInChI=1S/C11H11ClO3/c1-6-3-9-7(4-8(6)12)5-10(15-9)11(13)14-2/h3-4,10H,5H2,1-2H3
InChIKeyFIHWBIALIJUHQR-UHFFFAOYSA-N
MW226.66 g/mol
LogP2.12
Rot. Bonds1

About methyl 5-chloro-6-methyl-2,3-dihydro-1-benzofuran-2-carboxylate

methyl 5-chloro-6-methyl-2,3-dihydro-1-benzofuran-2-carboxylate (PubChem CID 165466089) has the molecular formula C11H11ClO3 and a molecular weight of 226.66 g/mol. Its IUPAC name is methyl 5-chloro-6-methyl-2,3-dihydro-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-chloro-6-methyl-2,3-dihydro-1-benzofuran-2-carboxylate
PubChem CID165466089
Molecular FormulaC11H11ClO3
Molecular Weight226.66 g/mol
Exact Mass226.04
IUPAC Namemethyl 5-chloro-6-methyl-2,3-dihydro-1-benzofuran-2-carboxylate
SMILESCOC(=O)C1Cc2cc(Cl)c(C)cc2O1
InChIInChI=1S/C11H11ClO3/c1-6-3-9-7(4-8(6)12)5-10(15-9)11(13)14-2/h3-4,10H,5H2,1-2H3
InChIKeyFIHWBIALIJUHQR-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-6-methyl-2,3-dihydro-1-benzofuran-2-carboxylic acid
CID 165462903
methyl (2S)-6-methoxy-2,3-dihydro-1-benzofuran-2-carboxylate
CID 10703555
methyl 5-[2-[(dimethylamino)methyl]-3-methylbutanoyl]-6-methyl-2,3-dihydro-1-benzofuran-2-carboxylate
CID 163862309
methyl 5-(bromomethyl)-2,3-dihydro-1-benzofuran-2-carboxylate
CID 88990215
methyl 6-(diethylamino)-2,3-dihydro-1-benzofuran-2-carboxylate
CID 165488753
methyl 5-nitro-2,3-dihydro-1-benzofuran-2-carboxylate
CID 14468425
(2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9083841
1-(5,6-dimethyl-2,3-dihydro-1-benzofuran-2-yl)-2-methylpropan-1-one
CID 165456687
methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1-benzofuran-2-carboxylate
CID 142473007
methyl 5-amino-4-chloro-2,3-dihydro-1-benzofuran-2-carboxylate
CID 131527371
methyl (2S)-6-phenylmethoxy-2,3-dihydro-1-benzofuran-2-carboxylate
CID 101035313
methyl (3R)-7-bromo-1-oxo-3,4-dihydroisochromene-3-carboxylate
CID 7464537

Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-6-methyl-2,3-dihydro-1-benzofuran-2-carboxylate?
The IUPAC name of methyl 5-chloro-6-methyl-2,3-dihydro-1-benzofuran-2-carboxylate (CID 165466089) is methyl 5-chloro-6-methyl-2,3-dihydro-1-benzofuran-2-carboxylate.
What is the SMILES notation for methyl 5-chloro-6-methyl-2,3-dihydro-1-benzofuran-2-carboxylate?
The canonical SMILES for methyl 5-chloro-6-methyl-2,3-dihydro-1-benzofuran-2-carboxylate is COC(=O)C1Cc2cc(Cl)c(C)cc2O1.
What is the InChIKey of methyl 5-chloro-6-methyl-2,3-dihydro-1-benzofuran-2-carboxylate?
The InChIKey is FIHWBIALIJUHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO3/c1-6-3-9-7(4-8(6)12)5-10(15-9)11(13)14-2/h3-4,10H,5H2,1-2H3.
What are the key properties of methyl 5-chloro-6-methyl-2,3-dihydro-1-benzofuran-2-carboxylate?
methyl 5-chloro-6-methyl-2,3-dihydro-1-benzofuran-2-carboxylate has a molecular weight of 226.66 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-6-methyl-2,3-dihydro-1-benzofuran-2-carboxylate is sourced from PubChem (CID 165466089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).