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

C18H24O2 — CID 70420444

IUPACethyl 2-(4-cyclohexylphenyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C18H24O2/c1-2-20-18(19)17-12-16(17)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h8-11,13,16-17H,2-7,12H2,1H3
InChIKeyISPVENOBBIATNT-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.40
Rot. Bonds4

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

ethyl 2-(4-cyclohexylphenyl)cyclopropane-1-carboxylate (PubChem CID 70420444) has the molecular formula C18H24O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is ethyl 2-(4-cyclohexylphenyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-cyclohexylphenyl)cyclopropane-1-carboxylate
PubChem CID70420444
Molecular FormulaC18H24O2
Molecular Weight272.39 g/mol
Exact Mass272.18
IUPAC Nameethyl 2-(4-cyclohexylphenyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C18H24O2/c1-2-20-18(19)17-12-16(17)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h8-11,13,16-17H,2-7,12H2,1H3
InChIKeyISPVENOBBIATNT-UHFFFAOYSA-N
XLogP4.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-cyclohexylphenyl)cyclopropane-1-carboxylate?
The IUPAC name of ethyl 2-(4-cyclohexylphenyl)cyclopropane-1-carboxylate (CID 70420444) is ethyl 2-(4-cyclohexylphenyl)cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2-(4-cyclohexylphenyl)cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2-(4-cyclohexylphenyl)cyclopropane-1-carboxylate is CCOC(=O)C1CC1c1ccc(C2CCCCC2)cc1.
What is the InChIKey of ethyl 2-(4-cyclohexylphenyl)cyclopropane-1-carboxylate?
The InChIKey is ISPVENOBBIATNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O2/c1-2-20-18(19)17-12-16(17)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h8-11,13,16-17H,2-7,12H2,1H3.
What are the key properties of ethyl 2-(4-cyclohexylphenyl)cyclopropane-1-carboxylate?
ethyl 2-(4-cyclohexylphenyl)cyclopropane-1-carboxylate has a molecular weight of 272.39 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-cyclohexylphenyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 70420444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).