methyl 1-(1-benzofuran-3-yl)-2,2-dimethylcyclopropane-1-carboxylate

C15H16O3 — CID 116842883

IUPACmethyl 1-(1-benzofuran-3-yl)-2,2-dimethylcyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2coc3ccccc23)CC1(C)C
InChIInChI=1S/C15H16O3/c1-14(2)9-15(14,13(16)17-3)11-8-18-12-7-5-4-6-10(11)12/h4-8H,9H2,1-3H3
InChIKeyXWFOGJGYUIUIIU-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.27
Rot. Bonds2

About methyl 1-(1-benzofuran-3-yl)-2,2-dimethylcyclopropane-1-carboxylate

methyl 1-(1-benzofuran-3-yl)-2,2-dimethylcyclopropane-1-carboxylate (PubChem CID 116842883) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is methyl 1-(1-benzofuran-3-yl)-2,2-dimethylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(1-benzofuran-3-yl)-2,2-dimethylcyclopropane-1-carboxylate
PubChem CID116842883
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Namemethyl 1-(1-benzofuran-3-yl)-2,2-dimethylcyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2coc3ccccc23)CC1(C)C
InChIInChI=1S/C15H16O3/c1-14(2)9-15(14,13(16)17-3)11-8-18-12-7-5-4-6-10(11)12/h4-8H,9H2,1-3H3
InChIKeyXWFOGJGYUIUIIU-UHFFFAOYSA-N
XLogP3.27
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2,2-dimethyl-1-(2,4,5-trimethylphenyl)cyclopropane-1-carboxylate
CID 116842847
methyl 1-[amino(1-benzofuran-3-yl)methyl]cyclopropane-1-carboxylate
CID 116944424
methyl (1R)-2,2-dimethyl-1-(4-methylphenyl)cyclopropane-1-carboxylate
CID 158871678
methyl 1-(5-fluoro-2-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 116842814
methyl 1-(5-bromo-2-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 116842825
1-benzofuran-3-yl-(1-methylcyclopropyl)methanone
CID 164656337
methyl 1-(4-chlorophenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 116842803
3-(2-methyl-1,3-dioxolan-2-yl)chromen-4-one
CID 102496487
methyl 3-(1-benzofuran-3-yl)prop-2-ynoate
CID 64534980
cis-methyl (1S,2S)-1-methyl-2-naphthalen-1-ylcyclopropane-1-carboxylate
CID 11184053
3-(1-benzofuran-3-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171959994
[1-(1-benzofuran-3-yl)cyclobutyl]methanol
CID 116963820

Frequently Asked Questions

What is the IUPAC name of methyl 1-(1-benzofuran-3-yl)-2,2-dimethylcyclopropane-1-carboxylate?
The IUPAC name of methyl 1-(1-benzofuran-3-yl)-2,2-dimethylcyclopropane-1-carboxylate (CID 116842883) is methyl 1-(1-benzofuran-3-yl)-2,2-dimethylcyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-(1-benzofuran-3-yl)-2,2-dimethylcyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-(1-benzofuran-3-yl)-2,2-dimethylcyclopropane-1-carboxylate is COC(=O)C1(c2coc3ccccc23)CC1(C)C.
What is the InChIKey of methyl 1-(1-benzofuran-3-yl)-2,2-dimethylcyclopropane-1-carboxylate?
The InChIKey is XWFOGJGYUIUIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c1-14(2)9-15(14,13(16)17-3)11-8-18-12-7-5-4-6-10(11)12/h4-8H,9H2,1-3H3.
What are the key properties of methyl 1-(1-benzofuran-3-yl)-2,2-dimethylcyclopropane-1-carboxylate?
methyl 1-(1-benzofuran-3-yl)-2,2-dimethylcyclopropane-1-carboxylate has a molecular weight of 244.29 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(1-benzofuran-3-yl)-2,2-dimethylcyclopropane-1-carboxylate is sourced from PubChem (CID 116842883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).