methyl 2-[2-(4-ethylsulfonylphenyl)propyl]cyclopropane-1-carboxylate

C16H22O4S — CID 83927264

IUPACmethyl 2-[2-(4-ethylsulfonylphenyl)propyl]cyclopropane-1-carboxylate
SMILESCCS(=O)(=O)c1ccc(C(C)CC2CC2C(=O)OC)cc1
InChIInChI=1S/C16H22O4S/c1-4-21(18,19)14-7-5-12(6-8-14)11(2)9-13-10-15(13)16(17)20-3/h5-8,11,13,15H,4,9-10H2,1-3H3
InChIKeyBDPZXNRNMZZJGG-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.78
Rot. Bonds6

About methyl 2-[2-(4-ethylsulfonylphenyl)propyl]cyclopropane-1-carboxylate

methyl 2-[2-(4-ethylsulfonylphenyl)propyl]cyclopropane-1-carboxylate (PubChem CID 83927264) has the molecular formula C16H22O4S and a molecular weight of 310.42 g/mol. Its IUPAC name is methyl 2-[2-(4-ethylsulfonylphenyl)propyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-(4-ethylsulfonylphenyl)propyl]cyclopropane-1-carboxylate
PubChem CID83927264
Molecular FormulaC16H22O4S
Molecular Weight310.42 g/mol
Exact Mass310.12
IUPAC Namemethyl 2-[2-(4-ethylsulfonylphenyl)propyl]cyclopropane-1-carboxylate
SMILESCCS(=O)(=O)c1ccc(C(C)CC2CC2C(=O)OC)cc1
InChIInChI=1S/C16H22O4S/c1-4-21(18,19)14-7-5-12(6-8-14)11(2)9-13-10-15(13)16(17)20-3/h5-8,11,13,15H,4,9-10H2,1-3H3
InChIKeyBDPZXNRNMZZJGG-UHFFFAOYSA-N
XLogP2.78
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-(4-tert-butylphenyl)propyl]cyclopropane-1-carboxylate
CID 83928797
methyl 2-[2-(3-methylsulfonylphenyl)propyl]cyclopropane-1-carboxylate
CID 83926526
methyl 2-[2-(3-bromo-4-ethylphenyl)propyl]cyclopropane-1-carboxylate
CID 83921729
methyl 2-[2-(3-propan-2-ylsulfonylphenyl)propyl]cyclopropane-1-carboxylate
CID 83927024
methyl 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]cyclopropane-1-carboxylate
CID 83922196
methyl 2-[2-(4-ethoxy-3-methoxyphenyl)propyl]cyclopropane-1-carboxylate
CID 83938424
methyl 2-[2-(2,3,6-trichlorophenyl)propyl]cyclopropane-1-carboxylate
CID 83925208
methyl 2-[2-(2-methoxyphenyl)propyl]cyclopropane-1-carboxylate
CID 83929095
methyl 2-[2-(4-ethoxy-2-methylphenyl)propyl]cyclopropane-1-carboxylate
CID 83936699
methyl 2-[2-(5-tert-butyl-2-methylphenyl)propyl]cyclopropane-1-carboxylate
CID 83935426

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(4-ethylsulfonylphenyl)propyl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 2-[2-(4-ethylsulfonylphenyl)propyl]cyclopropane-1-carboxylate (CID 83927264) is methyl 2-[2-(4-ethylsulfonylphenyl)propyl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 2-[2-(4-ethylsulfonylphenyl)propyl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 2-[2-(4-ethylsulfonylphenyl)propyl]cyclopropane-1-carboxylate is CCS(=O)(=O)c1ccc(C(C)CC2CC2C(=O)OC)cc1.
What is the InChIKey of methyl 2-[2-(4-ethylsulfonylphenyl)propyl]cyclopropane-1-carboxylate?
The InChIKey is BDPZXNRNMZZJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O4S/c1-4-21(18,19)14-7-5-12(6-8-14)11(2)9-13-10-15(13)16(17)20-3/h5-8,11,13,15H,4,9-10H2,1-3H3.
What are the key properties of methyl 2-[2-(4-ethylsulfonylphenyl)propyl]cyclopropane-1-carboxylate?
methyl 2-[2-(4-ethylsulfonylphenyl)propyl]cyclopropane-1-carboxylate has a molecular weight of 310.42 g/mol, XLogP of 2.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(4-ethylsulfonylphenyl)propyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 83927264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).