2-[4-(2-ethoxyphenyl)cyclohexyl]-3-propyloxirane

C19H28O2 — CID 88673102

IUPAC2-[4-(2-ethoxyphenyl)cyclohexyl]-3-propyloxirane
SMILESCCCC1OC1C1CCC(c2ccccc2OCC)CC1
InChIInChI=1S/C19H28O2/c1-3-7-18-19(21-18)15-12-10-14(11-13-15)16-8-5-6-9-17(16)20-4-2/h5-6,8-9,14-15,18-19H,3-4,7,10-13H2,1-2H3
InChIKeyUJXLZVBDFMTQTM-UHFFFAOYSA-N
MW288.43 g/mol
LogP4.93
Rot. Bonds6

About 2-[4-(2-ethoxyphenyl)cyclohexyl]-3-propyloxirane

2-[4-(2-ethoxyphenyl)cyclohexyl]-3-propyloxirane (PubChem CID 88673102) has the molecular formula C19H28O2 and a molecular weight of 288.43 g/mol. Its IUPAC name is 2-[4-(2-ethoxyphenyl)cyclohexyl]-3-propyloxirane.

Molecular Properties

Compound Name2-[4-(2-ethoxyphenyl)cyclohexyl]-3-propyloxirane
PubChem CID88673102
Molecular FormulaC19H28O2
Molecular Weight288.43 g/mol
Exact Mass288.21
IUPAC Name2-[4-(2-ethoxyphenyl)cyclohexyl]-3-propyloxirane
SMILESCCCC1OC1C1CCC(c2ccccc2OCC)CC1
InChIInChI=1S/C19H28O2/c1-3-7-18-19(21-18)15-12-10-14(11-13-15)16-8-5-6-9-17(16)20-4-2/h5-6,8-9,14-15,18-19H,3-4,7,10-13H2,1-2H3
InChIKeyUJXLZVBDFMTQTM-UHFFFAOYSA-N
XLogP4.93
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-ethoxyphenyl)cyclohexyl]-3-propyloxirane?
The IUPAC name of 2-[4-(2-ethoxyphenyl)cyclohexyl]-3-propyloxirane (CID 88673102) is 2-[4-(2-ethoxyphenyl)cyclohexyl]-3-propyloxirane.
What is the SMILES notation for 2-[4-(2-ethoxyphenyl)cyclohexyl]-3-propyloxirane?
The canonical SMILES for 2-[4-(2-ethoxyphenyl)cyclohexyl]-3-propyloxirane is CCCC1OC1C1CCC(c2ccccc2OCC)CC1.
What is the InChIKey of 2-[4-(2-ethoxyphenyl)cyclohexyl]-3-propyloxirane?
The InChIKey is UJXLZVBDFMTQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O2/c1-3-7-18-19(21-18)15-12-10-14(11-13-15)16-8-5-6-9-17(16)20-4-2/h5-6,8-9,14-15,18-19H,3-4,7,10-13H2,1-2H3.
What are the key properties of 2-[4-(2-ethoxyphenyl)cyclohexyl]-3-propyloxirane?
2-[4-(2-ethoxyphenyl)cyclohexyl]-3-propyloxirane has a molecular weight of 288.43 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethoxyphenyl)cyclohexyl]-3-propyloxirane is sourced from PubChem (CID 88673102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).