ethyl 2-(4-methyl-3-methylsulfonylphenyl)cyclopropane-1-carboxylate

C14H18O4S — CID 164906873

IUPACethyl 2-(4-methyl-3-methylsulfonylphenyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1c1ccc(C)c(S(C)(=O)=O)c1
InChIInChI=1S/C14H18O4S/c1-4-18-14(15)12-8-11(12)10-6-5-9(2)13(7-10)19(3,16)17/h5-7,11-12H,4,8H2,1-3H3
InChIKeyKCFDAXYOHRHVOF-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.07
Rot. Bonds4

About ethyl 2-(4-methyl-3-methylsulfonylphenyl)cyclopropane-1-carboxylate

ethyl 2-(4-methyl-3-methylsulfonylphenyl)cyclopropane-1-carboxylate (PubChem CID 164906873) has the molecular formula C14H18O4S and a molecular weight of 282.36 g/mol. Its IUPAC name is ethyl 2-(4-methyl-3-methylsulfonylphenyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-methyl-3-methylsulfonylphenyl)cyclopropane-1-carboxylate
PubChem CID164906873
Molecular FormulaC14H18O4S
Molecular Weight282.36 g/mol
Exact Mass282.09
IUPAC Nameethyl 2-(4-methyl-3-methylsulfonylphenyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1c1ccc(C)c(S(C)(=O)=O)c1
InChIInChI=1S/C14H18O4S/c1-4-18-14(15)12-8-11(12)10-6-5-9(2)13(7-10)19(3,16)17/h5-7,11-12H,4,8H2,1-3H3
InChIKeyKCFDAXYOHRHVOF-UHFFFAOYSA-N
XLogP2.07
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cis-ethyl (1S,2R)-2-naphthalen-2-ylcyclopropane-1-carboxylate
CID 15758689
ethyl 2-[3-chloro-4-(hydroxymethyl)phenyl]cyclopropane-1-carboxylate
CID 167287354
tert-butyl-[4-(2-ethoxycarbonylcyclopropyl)phenyl]tin
CID 141092878
ethyl 2-phenylcyclopropane-1-carboxylate;2-phenylcyclopropane-1-carboxylic acid
CID 70636165
trans-ethyl (1S,2S)-2-(4-ethenylphenyl)cyclopropane-1-carboxylate
CID 101266257
ethyl 2-(4-cyclohexylphenyl)cyclopropane-1-carboxylate
CID 70420444
trans-ethyl (1R,2R)-2-(2-fluoro-4-pyridinyl)cyclopropane-1-carboxylate
CID 90220502
trans-ethyl (1S,2S)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate
CID 90226075
ethyl 2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate
CID 57429659
ethyl (2S)-2-[4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-chlorophenyl]cyclopropane-1-carboxylate
CID 165133313
cis-ethyl (1R,2S)-2-(6-bromo-3-pyridinyl)cyclopropane-1-carboxylate
CID 124561675
trans-ethyl (1R,2R)-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]cyclopropane-1-carboxylate
CID 25111498

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methyl-3-methylsulfonylphenyl)cyclopropane-1-carboxylate?
The IUPAC name of ethyl 2-(4-methyl-3-methylsulfonylphenyl)cyclopropane-1-carboxylate (CID 164906873) is ethyl 2-(4-methyl-3-methylsulfonylphenyl)cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2-(4-methyl-3-methylsulfonylphenyl)cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2-(4-methyl-3-methylsulfonylphenyl)cyclopropane-1-carboxylate is CCOC(=O)C1CC1c1ccc(C)c(S(C)(=O)=O)c1.
What is the InChIKey of ethyl 2-(4-methyl-3-methylsulfonylphenyl)cyclopropane-1-carboxylate?
The InChIKey is KCFDAXYOHRHVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4S/c1-4-18-14(15)12-8-11(12)10-6-5-9(2)13(7-10)19(3,16)17/h5-7,11-12H,4,8H2,1-3H3.
What are the key properties of ethyl 2-(4-methyl-3-methylsulfonylphenyl)cyclopropane-1-carboxylate?
ethyl 2-(4-methyl-3-methylsulfonylphenyl)cyclopropane-1-carboxylate has a molecular weight of 282.36 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methyl-3-methylsulfonylphenyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 164906873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).