(4-prop-2-enoxyphenyl) 4-ethylcyclohexane-1-carboxylate

C18H24O3 — CID 15218955

IUPAC(4-prop-2-enoxyphenyl) 4-ethylcyclohexane-1-carboxylate
SMILESC=CCOc1ccc(OC(=O)C2CCC(CC)CC2)cc1
InChIInChI=1S/C18H24O3/c1-3-13-20-16-9-11-17(12-10-16)21-18(19)15-7-5-14(4-2)6-8-15/h3,9-12,14-15H,1,4-8,13H2,2H3
InChIKeyZURMZOJOUIMOTN-UHFFFAOYSA-N
MW288.39 g/mol
LogP4.37
Rot. Bonds6

About (4-prop-2-enoxyphenyl) 4-ethylcyclohexane-1-carboxylate

(4-prop-2-enoxyphenyl) 4-ethylcyclohexane-1-carboxylate (PubChem CID 15218955) has the molecular formula C18H24O3 and a molecular weight of 288.39 g/mol. Its IUPAC name is (4-prop-2-enoxyphenyl) 4-ethylcyclohexane-1-carboxylate.

Molecular Properties

Compound Name(4-prop-2-enoxyphenyl) 4-ethylcyclohexane-1-carboxylate
PubChem CID15218955
Molecular FormulaC18H24O3
Molecular Weight288.39 g/mol
Exact Mass288.17
IUPAC Name(4-prop-2-enoxyphenyl) 4-ethylcyclohexane-1-carboxylate
SMILESC=CCOc1ccc(OC(=O)C2CCC(CC)CC2)cc1
InChIInChI=1S/C18H24O3/c1-3-13-20-16-9-11-17(12-10-16)21-18(19)15-7-5-14(4-2)6-8-15/h3,9-12,14-15H,1,4-8,13H2,2H3
InChIKeyZURMZOJOUIMOTN-UHFFFAOYSA-N
XLogP4.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-prop-2-enoxyphenyl) 4-ethylcyclohexane-1-carboxylate?
The IUPAC name of (4-prop-2-enoxyphenyl) 4-ethylcyclohexane-1-carboxylate (CID 15218955) is (4-prop-2-enoxyphenyl) 4-ethylcyclohexane-1-carboxylate.
What is the SMILES notation for (4-prop-2-enoxyphenyl) 4-ethylcyclohexane-1-carboxylate?
The canonical SMILES for (4-prop-2-enoxyphenyl) 4-ethylcyclohexane-1-carboxylate is C=CCOc1ccc(OC(=O)C2CCC(CC)CC2)cc1.
What is the InChIKey of (4-prop-2-enoxyphenyl) 4-ethylcyclohexane-1-carboxylate?
The InChIKey is ZURMZOJOUIMOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O3/c1-3-13-20-16-9-11-17(12-10-16)21-18(19)15-7-5-14(4-2)6-8-15/h3,9-12,14-15H,1,4-8,13H2,2H3.
What are the key properties of (4-prop-2-enoxyphenyl) 4-ethylcyclohexane-1-carboxylate?
(4-prop-2-enoxyphenyl) 4-ethylcyclohexane-1-carboxylate has a molecular weight of 288.39 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-prop-2-enoxyphenyl) 4-ethylcyclohexane-1-carboxylate is sourced from PubChem (CID 15218955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).