6-(4-ethoxyphenyl)-2-octyl-1,2,3,4-tetrahydronaphthalene

C26H36O — CID 20500248

IUPAC6-(4-ethoxyphenyl)-2-octyl-1,2,3,4-tetrahydronaphthalene
SMILESCCCCCCCCC1CCc2cc(-c3ccc(OCC)cc3)ccc2C1
InChIInChI=1S/C26H36O/c1-3-5-6-7-8-9-10-21-11-12-25-20-24(14-13-23(25)19-21)22-15-17-26(18-16-22)27-4-2/h13-18,20-21H,3-12,19H2,1-2H3
InChIKeyYPHKLFDEHMROHY-UHFFFAOYSA-N
MW364.57 g/mol
LogP7.61
Rot. Bonds10

About 6-(4-ethoxyphenyl)-2-octyl-1,2,3,4-tetrahydronaphthalene

6-(4-ethoxyphenyl)-2-octyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 20500248) has the molecular formula C26H36O and a molecular weight of 364.57 g/mol. Its IUPAC name is 6-(4-ethoxyphenyl)-2-octyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-(4-ethoxyphenyl)-2-octyl-1,2,3,4-tetrahydronaphthalene
PubChem CID20500248
Molecular FormulaC26H36O
Molecular Weight364.57 g/mol
Exact Mass364.28
IUPAC Name6-(4-ethoxyphenyl)-2-octyl-1,2,3,4-tetrahydronaphthalene
SMILESCCCCCCCCC1CCc2cc(-c3ccc(OCC)cc3)ccc2C1
InChIInChI=1S/C26H36O/c1-3-5-6-7-8-9-10-21-11-12-25-20-24(14-13-23(25)19-21)22-15-17-26(18-16-22)27-4-2/h13-18,20-21H,3-12,19H2,1-2H3
InChIKeyYPHKLFDEHMROHY-UHFFFAOYSA-N
XLogP7.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.57
LogP ≤ 57.61
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

2-hexyl-6-(4-pentoxyphenyl)-1,2,3,4-tetrahydronaphthalene
CID 20500404
2-pentyl-6-(4-propoxyphenyl)-1,2,3,4-tetrahydronaphthalene
CID 20500384
2-ethyl-6-(4-heptoxyphenyl)-1,2,3,4-tetrahydronaphthalene
CID 20500196
2-but-3-enyl-6-(4-ethoxyphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139853661
2-heptyl-6-(4-hexylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 20500542
[4-(6-pentyl-5,6,7,8-tetrahydronaphthalen-2-yl)phenyl] hexanoate
CID 20500685
[4-(6-butyl-5,6,7,8-tetrahydronaphthalen-2-yl)phenyl] octanoate
CID 20500099
2-[2-(4-pentylcyclohexyl)ethyl]-6-(3,4,5-trifluorophenyl)-1,2,3,4-tetrahydronaphthalene
CID 58840279
6-(4-ethoxyphenyl)-2-(4-ethylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
CID 139853135
2-butyl-6-(3,4,5-trifluorophenyl)-1,2,3,4-tetrahydronaphthalene
CID 139852113
6-ethoxy-2-[4-(4-pentylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139849675
1-ethoxy-4-[4-(4-undecylcyclohexyl)phenyl]benzene
CID 20539346

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxyphenyl)-2-octyl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-(4-ethoxyphenyl)-2-octyl-1,2,3,4-tetrahydronaphthalene (CID 20500248) is 6-(4-ethoxyphenyl)-2-octyl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-(4-ethoxyphenyl)-2-octyl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-(4-ethoxyphenyl)-2-octyl-1,2,3,4-tetrahydronaphthalene is CCCCCCCCC1CCc2cc(-c3ccc(OCC)cc3)ccc2C1.
What is the InChIKey of 6-(4-ethoxyphenyl)-2-octyl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is YPHKLFDEHMROHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36O/c1-3-5-6-7-8-9-10-21-11-12-25-20-24(14-13-23(25)19-21)22-15-17-26(18-16-22)27-4-2/h13-18,20-21H,3-12,19H2,1-2H3.
What are the key properties of 6-(4-ethoxyphenyl)-2-octyl-1,2,3,4-tetrahydronaphthalene?
6-(4-ethoxyphenyl)-2-octyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 364.57 g/mol, XLogP of 7.61, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxyphenyl)-2-octyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 20500248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).