1-[3-(4-ethylcyclohexyl)propoxy]-4-[2-(4-methylcyclohexyl)ethyl]benzene

C26H42O — CID 19739078

IUPAC1-[3-(4-ethylcyclohexyl)propoxy]-4-[2-(4-methylcyclohexyl)ethyl]benzene
SMILESCCC1CCC(CCCOc2ccc(CCC3CCC(C)CC3)cc2)CC1
InChIInChI=1S/C26H42O/c1-3-22-10-12-23(13-11-22)5-4-20-27-26-18-16-25(17-19-26)15-14-24-8-6-21(2)7-9-24/h16-19,21-24H,3-15,20H2,1-2H3
InChIKeyFPPOHPFEYWGQLG-UHFFFAOYSA-N
MW370.62 g/mol
LogP7.82
Rot. Bonds9

About 1-[3-(4-ethylcyclohexyl)propoxy]-4-[2-(4-methylcyclohexyl)ethyl]benzene

1-[3-(4-ethylcyclohexyl)propoxy]-4-[2-(4-methylcyclohexyl)ethyl]benzene (PubChem CID 19739078) has the molecular formula C26H42O and a molecular weight of 370.62 g/mol. Its IUPAC name is 1-[3-(4-ethylcyclohexyl)propoxy]-4-[2-(4-methylcyclohexyl)ethyl]benzene.

Molecular Properties

Compound Name1-[3-(4-ethylcyclohexyl)propoxy]-4-[2-(4-methylcyclohexyl)ethyl]benzene
PubChem CID19739078
Molecular FormulaC26H42O
Molecular Weight370.62 g/mol
Exact Mass370.32
IUPAC Name1-[3-(4-ethylcyclohexyl)propoxy]-4-[2-(4-methylcyclohexyl)ethyl]benzene
SMILESCCC1CCC(CCCOc2ccc(CCC3CCC(C)CC3)cc2)CC1
InChIInChI=1S/C26H42O/c1-3-22-10-12-23(13-11-22)5-4-20-27-26-18-16-25(17-19-26)15-14-24-8-6-21(2)7-9-24/h16-19,21-24H,3-15,20H2,1-2H3
InChIKeyFPPOHPFEYWGQLG-UHFFFAOYSA-N
XLogP7.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.62
LogP ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-methylcyclohexyl)ethyl]-4-[3-(4-methylcyclohexyl)propoxy]benzene
CID 19739243
1-[2-(4-ethylcyclohexyl)ethyl]-4-[3-(4-ethylcyclohexyl)propoxy]benzene
CID 19739072
1-butoxy-4-[2-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]ethynyl]benzene
CID 67865149
1-propoxy-4-[2-(4-propylcyclohexyl)ethyl]benzene
CID 15641416
1-butoxy-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]benzene
CID 54140175
1-[3-(4-methylcyclohexyl)propoxy]-4-[4-[3-(4-methylcyclohexyl)propoxy]phenyl]benzene
CID 19738810
1-octyl-4-[3-(4-pentylcyclohexyl)propoxy]benzene
CID 19739264
1-heptyl-4-[3-(4-hexylcyclohexyl)propoxy]benzene
CID 57294543
1-[(3S)-3-fluorooctoxy]-4-[2-(4-pentylcyclohexyl)ethyl]benzene
CID 142023816
1-butoxy-4-[3-(4-propylcyclohexyl)propoxy]benzene
CID 19739002
1-butoxy-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]ethynyl]benzene;1-ethoxy-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]ethynyl]benzene;1-methoxy-4-[2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]ethynyl]benzene;1-[2-(4-methylcyclohexyl)ethyl]-4-[2-(4-pentoxyphenyl)ethynyl]benzene;1-[2-(4-methylcyclohexyl)ethyl]-4-[2-(4-propoxyphenyl)ethynyl]benzene
CID 173394271
1-butoxy-3-[2-(4-methylcyclohexyl)ethyl]benzene
CID 59545229

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-ethylcyclohexyl)propoxy]-4-[2-(4-methylcyclohexyl)ethyl]benzene?
The IUPAC name of 1-[3-(4-ethylcyclohexyl)propoxy]-4-[2-(4-methylcyclohexyl)ethyl]benzene (CID 19739078) is 1-[3-(4-ethylcyclohexyl)propoxy]-4-[2-(4-methylcyclohexyl)ethyl]benzene.
What is the SMILES notation for 1-[3-(4-ethylcyclohexyl)propoxy]-4-[2-(4-methylcyclohexyl)ethyl]benzene?
The canonical SMILES for 1-[3-(4-ethylcyclohexyl)propoxy]-4-[2-(4-methylcyclohexyl)ethyl]benzene is CCC1CCC(CCCOc2ccc(CCC3CCC(C)CC3)cc2)CC1.
What is the InChIKey of 1-[3-(4-ethylcyclohexyl)propoxy]-4-[2-(4-methylcyclohexyl)ethyl]benzene?
The InChIKey is FPPOHPFEYWGQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42O/c1-3-22-10-12-23(13-11-22)5-4-20-27-26-18-16-25(17-19-26)15-14-24-8-6-21(2)7-9-24/h16-19,21-24H,3-15,20H2,1-2H3.
What are the key properties of 1-[3-(4-ethylcyclohexyl)propoxy]-4-[2-(4-methylcyclohexyl)ethyl]benzene?
1-[3-(4-ethylcyclohexyl)propoxy]-4-[2-(4-methylcyclohexyl)ethyl]benzene has a molecular weight of 370.62 g/mol, XLogP of 7.82, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-ethylcyclohexyl)propoxy]-4-[2-(4-methylcyclohexyl)ethyl]benzene is sourced from PubChem (CID 19739078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).