methyl 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]cyclopropane-1-carboxylate

C16H20O4 — CID 83922196

IUPACmethyl 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1CC1CC(C)c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H20O4/c1-10(7-12-8-13(12)16(17)18-2)11-3-4-14-15(9-11)20-6-5-19-14/h3-4,9-10,12-13H,5-8H2,1-2H3
InChIKeyVLXFYGMUBXUFTD-UHFFFAOYSA-N
MW276.33 g/mol
LogP2.76
Rot. Bonds4

About methyl 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]cyclopropane-1-carboxylate

methyl 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]cyclopropane-1-carboxylate (PubChem CID 83922196) has the molecular formula C16H20O4 and a molecular weight of 276.33 g/mol. Its IUPAC name is methyl 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]cyclopropane-1-carboxylate
PubChem CID83922196
Molecular FormulaC16H20O4
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC Namemethyl 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1CC1CC(C)c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H20O4/c1-10(7-12-8-13(12)16(17)18-2)11-3-4-14-15(9-11)20-6-5-19-14/h3-4,9-10,12-13H,5-8H2,1-2H3
InChIKeyVLXFYGMUBXUFTD-UHFFFAOYSA-N
XLogP2.76
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]cyclopropane-1-carboxylate with MolForge

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Related Compounds

methyl 2-[2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)propyl]cyclopropane-1-carboxylate
CID 83922326
methyl 2-[2-(4-hydroxyphenyl)propyl]cyclopropane-1-carboxylate
CID 83930458
methyl 2-[2-(4-fluorophenyl)propyl]cyclopropane-1-carboxylate
CID 83931003
methyl 2-[2-(3-bromo-4-ethylphenyl)propyl]cyclopropane-1-carboxylate
CID 83921729
methyl 2-[2-(4-ethylsulfonylphenyl)propyl]cyclopropane-1-carboxylate
CID 83927264
methyl 2-[2-(3-methylsulfonylphenyl)propyl]cyclopropane-1-carboxylate
CID 83926526
methyl 2-[2-(4-ethoxy-3-methoxyphenyl)propyl]cyclopropane-1-carboxylate
CID 83938424
methyl 2-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)cyclopropane-1-carboxylate
CID 123193611
methyl 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-fluoroacetate
CID 105426445
6-[(2S)-butan-2-yl]-2,3-dihydro-1,4-benzodioxine
CID 89291173
methyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxybutanoate
CID 66288795
N-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]methanesulfonamide
CID 110371412

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]cyclopropane-1-carboxylate (CID 83922196) is methyl 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]cyclopropane-1-carboxylate is COC(=O)C1CC1CC(C)c1ccc2c(c1)OCCO2.
What is the InChIKey of methyl 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]cyclopropane-1-carboxylate?
The InChIKey is VLXFYGMUBXUFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O4/c1-10(7-12-8-13(12)16(17)18-2)11-3-4-14-15(9-11)20-6-5-19-14/h3-4,9-10,12-13H,5-8H2,1-2H3.
What are the key properties of methyl 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]cyclopropane-1-carboxylate?
methyl 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]cyclopropane-1-carboxylate has a molecular weight of 276.33 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 83922196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).