methyl 2-[2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)propyl]cyclopropane-1-carboxylate

C16H19ClO4 — CID 83922326

IUPACmethyl 2-[2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)propyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1CC1CC(C)c1cc2c(cc1Cl)OCCO2
InChIInChI=1S/C16H19ClO4/c1-9(5-10-6-12(10)16(18)19-2)11-7-14-15(8-13(11)17)21-4-3-20-14/h7-10,12H,3-6H2,1-2H3
InChIKeyVCLRXQKBKGJULT-UHFFFAOYSA-N
MW310.78 g/mol
LogP3.41
Rot. Bonds4

About methyl 2-[2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)propyl]cyclopropane-1-carboxylate

methyl 2-[2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)propyl]cyclopropane-1-carboxylate (PubChem CID 83922326) has the molecular formula C16H19ClO4 and a molecular weight of 310.78 g/mol. Its IUPAC name is methyl 2-[2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)propyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)propyl]cyclopropane-1-carboxylate
PubChem CID83922326
Molecular FormulaC16H19ClO4
Molecular Weight310.78 g/mol
Exact Mass310.10
IUPAC Namemethyl 2-[2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)propyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1CC1CC(C)c1cc2c(cc1Cl)OCCO2
InChIInChI=1S/C16H19ClO4/c1-9(5-10-6-12(10)16(18)19-2)11-7-14-15(8-13(11)17)21-4-3-20-14/h7-10,12H,3-6H2,1-2H3
InChIKeyVCLRXQKBKGJULT-UHFFFAOYSA-N
XLogP3.41
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-[2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)propyl]cyclopropane-1-carboxylate with MolForge

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Related Compounds

methyl 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]cyclopropane-1-carboxylate
CID 83922196
methyl 2-[2-(2-methoxyphenyl)propyl]cyclopropane-1-carboxylate
CID 83929095
methyl 2-[2-(5-tert-butyl-2-methylphenyl)propyl]cyclopropane-1-carboxylate
CID 83935426
methyl 2-[2-(2,3-difluorophenyl)propyl]cyclopropane-1-carboxylate
CID 83925556
methyl 2-[2-(4-ethoxy-2-methylphenyl)propyl]cyclopropane-1-carboxylate
CID 83936699
methyl 2-[2-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]cyclopropane-1-carboxylate
CID 83922563
N-[(1S)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]acetamide
CID 7471799
methyl 2-[2-(4-fluorophenyl)propyl]cyclopropane-1-carboxylate
CID 83931003
(1S)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol
CID 82759401
methyl 2-[2-(5-methyl-2-propoxyphenyl)propyl]cyclopropane-1-carboxylate
CID 83933599
methyl 2-[2-(4-tert-butylphenyl)propyl]cyclopropane-1-carboxylate
CID 83928797
6-chloro-7-[(Z)-hex-4-en-2-yl]-2,3-dihydro-1,4-benzodioxine
CID 83922291

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)propyl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 2-[2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)propyl]cyclopropane-1-carboxylate (CID 83922326) is methyl 2-[2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)propyl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 2-[2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)propyl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 2-[2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)propyl]cyclopropane-1-carboxylate is COC(=O)C1CC1CC(C)c1cc2c(cc1Cl)OCCO2.
What is the InChIKey of methyl 2-[2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)propyl]cyclopropane-1-carboxylate?
The InChIKey is VCLRXQKBKGJULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClO4/c1-9(5-10-6-12(10)16(18)19-2)11-7-14-15(8-13(11)17)21-4-3-20-14/h7-10,12H,3-6H2,1-2H3.
What are the key properties of methyl 2-[2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)propyl]cyclopropane-1-carboxylate?
methyl 2-[2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)propyl]cyclopropane-1-carboxylate has a molecular weight of 310.78 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)propyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 83922326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).