1-ethoxy-4-[2-(4-propylcyclohexyl)ethyl]benzene

C19H30O — CID 585050

IUPAC1-ethoxy-4-[2-(4-propylcyclohexyl)ethyl]benzene
SMILESCCCC1CCC(CCc2ccc(OCC)cc2)CC1
InChIInChI=1S/C19H30O/c1-3-5-16-6-8-17(9-7-16)10-11-18-12-14-19(15-13-18)20-4-2/h12-17H,3-11H2,1-2H3
InChIKeyAPBBCFNZHALDSW-UHFFFAOYSA-N
MW274.45 g/mol
LogP5.62
Rot. Bonds7

About 1-ethoxy-4-[2-(4-propylcyclohexyl)ethyl]benzene

1-ethoxy-4-[2-(4-propylcyclohexyl)ethyl]benzene (PubChem CID 585050) has the molecular formula C19H30O and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-ethoxy-4-[2-(4-propylcyclohexyl)ethyl]benzene.

Molecular Properties

Compound Name1-ethoxy-4-[2-(4-propylcyclohexyl)ethyl]benzene
PubChem CID585050
Molecular FormulaC19H30O
Molecular Weight274.45 g/mol
Exact Mass274.23
IUPAC Name1-ethoxy-4-[2-(4-propylcyclohexyl)ethyl]benzene
SMILESCCCC1CCC(CCc2ccc(OCC)cc2)CC1
InChIInChI=1S/C19H30O/c1-3-5-16-6-8-17(9-7-16)10-11-18-12-14-19(15-13-18)20-4-2/h12-17H,3-11H2,1-2H3
InChIKeyAPBBCFNZHALDSW-UHFFFAOYSA-N
XLogP5.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.45
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-[2-(4-propylcyclohexyl)ethyl]benzene?
The IUPAC name of 1-ethoxy-4-[2-(4-propylcyclohexyl)ethyl]benzene (CID 585050) is 1-ethoxy-4-[2-(4-propylcyclohexyl)ethyl]benzene.
What is the SMILES notation for 1-ethoxy-4-[2-(4-propylcyclohexyl)ethyl]benzene?
The canonical SMILES for 1-ethoxy-4-[2-(4-propylcyclohexyl)ethyl]benzene is CCCC1CCC(CCc2ccc(OCC)cc2)CC1.
What is the InChIKey of 1-ethoxy-4-[2-(4-propylcyclohexyl)ethyl]benzene?
The InChIKey is APBBCFNZHALDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O/c1-3-5-16-6-8-17(9-7-16)10-11-18-12-14-19(15-13-18)20-4-2/h12-17H,3-11H2,1-2H3.
What are the key properties of 1-ethoxy-4-[2-(4-propylcyclohexyl)ethyl]benzene?
1-ethoxy-4-[2-(4-propylcyclohexyl)ethyl]benzene has a molecular weight of 274.45 g/mol, XLogP of 5.62, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-[2-(4-propylcyclohexyl)ethyl]benzene is sourced from PubChem (CID 585050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).