ethyl 2-(4-methylphenyl)cyclopropane-1-carboxylate

C13H16O2 — CID 14663766

IUPACethyl 2-(4-methylphenyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1c1ccc(C)cc1
InChIInChI=1S/C13H16O2/c1-3-15-13(14)12-8-11(12)10-6-4-9(2)5-7-10/h4-7,11-12H,3,8H2,1-2H3
InChIKeyJWOBMCBGTXAJBG-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.66
Rot. Bonds3

About ethyl 2-(4-methylphenyl)cyclopropane-1-carboxylate

ethyl 2-(4-methylphenyl)cyclopropane-1-carboxylate (PubChem CID 14663766) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is ethyl 2-(4-methylphenyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-methylphenyl)cyclopropane-1-carboxylate
PubChem CID14663766
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Nameethyl 2-(4-methylphenyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1c1ccc(C)cc1
InChIInChI=1S/C13H16O2/c1-3-15-13(14)12-8-11(12)10-6-4-9(2)5-7-10/h4-7,11-12H,3,8H2,1-2H3
InChIKeyJWOBMCBGTXAJBG-UHFFFAOYSA-N
XLogP2.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methylphenyl)cyclopropane-1-carboxylate?
The IUPAC name of ethyl 2-(4-methylphenyl)cyclopropane-1-carboxylate (CID 14663766) is ethyl 2-(4-methylphenyl)cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2-(4-methylphenyl)cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2-(4-methylphenyl)cyclopropane-1-carboxylate is CCOC(=O)C1CC1c1ccc(C)cc1.
What is the InChIKey of ethyl 2-(4-methylphenyl)cyclopropane-1-carboxylate?
The InChIKey is JWOBMCBGTXAJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-3-15-13(14)12-8-11(12)10-6-4-9(2)5-7-10/h4-7,11-12H,3,8H2,1-2H3.
What are the key properties of ethyl 2-(4-methylphenyl)cyclopropane-1-carboxylate?
ethyl 2-(4-methylphenyl)cyclopropane-1-carboxylate has a molecular weight of 204.27 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methylphenyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 14663766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).