2-pentyl-6-(4-propoxyphenyl)-1,2,3,4-tetrahydronaphthalene

C24H32O — CID 20500384

IUPAC2-pentyl-6-(4-propoxyphenyl)-1,2,3,4-tetrahydronaphthalene
SMILESCCCCCC1CCc2cc(-c3ccc(OCCC)cc3)ccc2C1
InChIInChI=1S/C24H32O/c1-3-5-6-7-19-8-9-23-18-22(11-10-21(23)17-19)20-12-14-24(15-13-20)25-16-4-2/h10-15,18-19H,3-9,16-17H2,1-2H3
InChIKeyHIEOIEQMSOTLNW-UHFFFAOYSA-N
MW336.52 g/mol
LogP6.83
Rot. Bonds8

About 2-pentyl-6-(4-propoxyphenyl)-1,2,3,4-tetrahydronaphthalene

2-pentyl-6-(4-propoxyphenyl)-1,2,3,4-tetrahydronaphthalene (PubChem CID 20500384) has the molecular formula C24H32O and a molecular weight of 336.52 g/mol. Its IUPAC name is 2-pentyl-6-(4-propoxyphenyl)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name2-pentyl-6-(4-propoxyphenyl)-1,2,3,4-tetrahydronaphthalene
PubChem CID20500384
Molecular FormulaC24H32O
Molecular Weight336.52 g/mol
Exact Mass336.25
IUPAC Name2-pentyl-6-(4-propoxyphenyl)-1,2,3,4-tetrahydronaphthalene
SMILESCCCCCC1CCc2cc(-c3ccc(OCCC)cc3)ccc2C1
InChIInChI=1S/C24H32O/c1-3-5-6-7-19-8-9-23-18-22(11-10-21(23)17-19)20-12-14-24(15-13-20)25-16-4-2/h10-15,18-19H,3-9,16-17H2,1-2H3
InChIKeyHIEOIEQMSOTLNW-UHFFFAOYSA-N
XLogP6.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.52
LogP ≤ 56.83
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
6-(4-ethoxyphenyl)-2-octyl-1,2,3,4-tetrahydronaphthalene
CID 20500248
2-ethyl-6-(4-heptoxyphenyl)-1,2,3,4-tetrahydronaphthalene
CID 20500196
[4-(6-pentyl-5,6,7,8-tetrahydronaphthalen-2-yl)phenyl] hexanoate
CID 20500685
2-heptyl-6-(4-hexylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 20500542
[4-(6-butyl-5,6,7,8-tetrahydronaphthalen-2-yl)phenyl] octanoate
CID 20500099
2-(4-ethylcyclohexyl)-6-(4-propoxyphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139852543
6-[4-[(E)-pent-3-enoxy]phenyl]-2-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalene
CID 139852890
2-but-3-enyl-6-(4-ethoxyphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139853661
2-[2-(4-pentylcyclohexyl)ethyl]-6-(3,4,5-trifluorophenyl)-1,2,3,4-tetrahydronaphthalene
CID 58840279
1-[3-(4-nonylcyclohexyl)propoxy]-4-[4-[3-(4-nonylcyclohexyl)propoxy]phenyl]benzene
CID 19738837
2-butyl-6-(3,4,5-trifluorophenyl)-1,2,3,4-tetrahydronaphthalene
CID 139852113

Frequently Asked Questions

What is the IUPAC name of 2-pentyl-6-(4-propoxyphenyl)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 2-pentyl-6-(4-propoxyphenyl)-1,2,3,4-tetrahydronaphthalene (CID 20500384) is 2-pentyl-6-(4-propoxyphenyl)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 2-pentyl-6-(4-propoxyphenyl)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 2-pentyl-6-(4-propoxyphenyl)-1,2,3,4-tetrahydronaphthalene is CCCCCC1CCc2cc(-c3ccc(OCCC)cc3)ccc2C1.
What is the InChIKey of 2-pentyl-6-(4-propoxyphenyl)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is HIEOIEQMSOTLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32O/c1-3-5-6-7-19-8-9-23-18-22(11-10-21(23)17-19)20-12-14-24(15-13-20)25-16-4-2/h10-15,18-19H,3-9,16-17H2,1-2H3.
What are the key properties of 2-pentyl-6-(4-propoxyphenyl)-1,2,3,4-tetrahydronaphthalene?
2-pentyl-6-(4-propoxyphenyl)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 336.52 g/mol, XLogP of 6.83, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyl-6-(4-propoxyphenyl)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 20500384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).