methyl 2-(2,3-dihydro-1-benzofuran-6-yl)-2-methylpropanoate

C13H16O3 — CID 105475567

IUPACmethyl 2-(2,3-dihydro-1-benzofuran-6-yl)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)c1ccc2c(c1)OCC2
InChIInChI=1S/C13H16O3/c1-13(2,12(14)15-3)10-5-4-9-6-7-16-11(9)8-10/h4-5,8H,6-7H2,1-3H3
InChIKeyLLVMIJGLZCTMLT-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.07
Rot. Bonds2

About methyl 2-(2,3-dihydro-1-benzofuran-6-yl)-2-methylpropanoate

methyl 2-(2,3-dihydro-1-benzofuran-6-yl)-2-methylpropanoate (PubChem CID 105475567) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is methyl 2-(2,3-dihydro-1-benzofuran-6-yl)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-(2,3-dihydro-1-benzofuran-6-yl)-2-methylpropanoate
PubChem CID105475567
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Namemethyl 2-(2,3-dihydro-1-benzofuran-6-yl)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)c1ccc2c(c1)OCC2
InChIInChI=1S/C13H16O3/c1-13(2,12(14)15-3)10-5-4-9-6-7-16-11(9)8-10/h4-5,8H,6-7H2,1-3H3
InChIKeyLLVMIJGLZCTMLT-UHFFFAOYSA-N
XLogP2.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-2-(2,3-dihydro-1-benzofuran-6-yl)propan-2-ol
CID 82401989
2-(2,3-dihydro-1-benzofuran-6-yl)-2-methylpropan-1-amine
CID 105426380
6-(2-isocyanatopropan-2-yl)-2,3-dihydro-1-benzofuran
CID 105455223
methyl 2-[2,3-dihydro-1-benzofuran-5-yl(methyl)amino]-2-methylpropanoate
CID 115128392
acetic acid;6-methyl-2,3-dihydro-1-benzofuran
CID 156753873
2-(2,3-dihydro-1-benzofuran-6-yl)-2-fluoropropan-1-amine
CID 105426382
methyl 2-methyl-2-(4-sulfanylphenyl)propanoate
CID 69138846
methyl (3S)-3-amino-3-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylpropanoate;hydrochloride
CID 171247194
methyl 2-(4-methoxy-3-methylphenyl)-2-methylpropanoate
CID 116963053
methyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(ethylamino)propanoate
CID 54918112
methyl 2-(3-amino-4-methylphenyl)-2-methylpropanoate
CID 23125474
but-2-enyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropanoate
CID 76878419

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,3-dihydro-1-benzofuran-6-yl)-2-methylpropanoate?
The IUPAC name of methyl 2-(2,3-dihydro-1-benzofuran-6-yl)-2-methylpropanoate (CID 105475567) is methyl 2-(2,3-dihydro-1-benzofuran-6-yl)-2-methylpropanoate.
What is the SMILES notation for methyl 2-(2,3-dihydro-1-benzofuran-6-yl)-2-methylpropanoate?
The canonical SMILES for methyl 2-(2,3-dihydro-1-benzofuran-6-yl)-2-methylpropanoate is COC(=O)C(C)(C)c1ccc2c(c1)OCC2.
What is the InChIKey of methyl 2-(2,3-dihydro-1-benzofuran-6-yl)-2-methylpropanoate?
The InChIKey is LLVMIJGLZCTMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-13(2,12(14)15-3)10-5-4-9-6-7-16-11(9)8-10/h4-5,8H,6-7H2,1-3H3.
What are the key properties of methyl 2-(2,3-dihydro-1-benzofuran-6-yl)-2-methylpropanoate?
methyl 2-(2,3-dihydro-1-benzofuran-6-yl)-2-methylpropanoate has a molecular weight of 220.27 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,3-dihydro-1-benzofuran-6-yl)-2-methylpropanoate is sourced from PubChem (CID 105475567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).