1-ethoxy-4-(4-propylcyclohexyl)benzene

C17H26O — CID 595182

IUPAC1-ethoxy-4-(4-propylcyclohexyl)benzene
SMILESCCCC1CCC(c2ccc(OCC)cc2)CC1
InChIInChI=1S/C17H26O/c1-3-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18-4-2/h10-15H,3-9H2,1-2H3
InChIKeyOXBRRUNAAVNTOZ-UHFFFAOYSA-N
MW246.39 g/mol
LogP5.16
Rot. Bonds5

About 1-ethoxy-4-(4-propylcyclohexyl)benzene

1-ethoxy-4-(4-propylcyclohexyl)benzene (PubChem CID 595182) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is 1-ethoxy-4-(4-propylcyclohexyl)benzene.

Molecular Properties

Compound Name1-ethoxy-4-(4-propylcyclohexyl)benzene
PubChem CID595182
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name1-ethoxy-4-(4-propylcyclohexyl)benzene
SMILESCCCC1CCC(c2ccc(OCC)cc2)CC1
InChIInChI=1S/C17H26O/c1-3-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18-4-2/h10-15H,3-9H2,1-2H3
InChIKeyOXBRRUNAAVNTOZ-UHFFFAOYSA-N
XLogP5.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.39
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-(4-propylcyclohexyl)benzene?
The IUPAC name of 1-ethoxy-4-(4-propylcyclohexyl)benzene (CID 595182) is 1-ethoxy-4-(4-propylcyclohexyl)benzene.
What is the SMILES notation for 1-ethoxy-4-(4-propylcyclohexyl)benzene?
The canonical SMILES for 1-ethoxy-4-(4-propylcyclohexyl)benzene is CCCC1CCC(c2ccc(OCC)cc2)CC1.
What is the InChIKey of 1-ethoxy-4-(4-propylcyclohexyl)benzene?
The InChIKey is OXBRRUNAAVNTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O/c1-3-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18-4-2/h10-15H,3-9H2,1-2H3.
What are the key properties of 1-ethoxy-4-(4-propylcyclohexyl)benzene?
1-ethoxy-4-(4-propylcyclohexyl)benzene has a molecular weight of 246.39 g/mol, XLogP of 5.16, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-(4-propylcyclohexyl)benzene is sourced from PubChem (CID 595182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).