2-(4-ethylphenyl)-6-pent-4-enoxy-1,2,3,4-tetrahydronaphthalene

C23H28O — CID 139849417

IUPAC2-(4-ethylphenyl)-6-pent-4-enoxy-1,2,3,4-tetrahydronaphthalene
SMILESC=CCCCOc1ccc2c(c1)CCC(c1ccc(CC)cc1)C2
InChIInChI=1S/C23H28O/c1-3-5-6-15-24-23-14-13-21-16-20(11-12-22(21)17-23)19-9-7-18(4-2)8-10-19/h3,7-10,13-14,17,20H,1,4-6,11-12,15-16H2,2H3
InChIKeyJGHNCMCWUUKBJH-UHFFFAOYSA-N
MW320.48 g/mol
LogP5.87
Rot. Bonds7

About 2-(4-ethylphenyl)-6-pent-4-enoxy-1,2,3,4-tetrahydronaphthalene

2-(4-ethylphenyl)-6-pent-4-enoxy-1,2,3,4-tetrahydronaphthalene (PubChem CID 139849417) has the molecular formula C23H28O and a molecular weight of 320.48 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-6-pent-4-enoxy-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name2-(4-ethylphenyl)-6-pent-4-enoxy-1,2,3,4-tetrahydronaphthalene
PubChem CID139849417
Molecular FormulaC23H28O
Molecular Weight320.48 g/mol
Exact Mass320.21
IUPAC Name2-(4-ethylphenyl)-6-pent-4-enoxy-1,2,3,4-tetrahydronaphthalene
SMILESC=CCCCOc1ccc2c(c1)CCC(c1ccc(CC)cc1)C2
InChIInChI=1S/C23H28O/c1-3-5-6-15-24-23-14-13-21-16-20(11-12-22(21)17-23)19-9-7-18(4-2)8-10-19/h3,7-10,13-14,17,20H,1,4-6,11-12,15-16H2,2H3
InChIKeyJGHNCMCWUUKBJH-UHFFFAOYSA-N
XLogP5.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.48
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-but-3-enoxy-2-(4-butylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139847809
2-[2-(4-ethylphenyl)ethyl]-6-pent-4-enoxy-1,2,3,4-tetrahydronaphthalene
CID 139849291
2-(4-butylphenyl)-6-pent-3-enoxy-1,2,3,4-tetrahydronaphthalene
CID 139848040
2-[4-(4-but-3-enylcyclohexyl)phenyl]-6-ethyl-1,2,3,4-tetrahydronaphthalene
CID 139849353
2-(4-ethylcyclohexyl)-6-pent-4-enoxy-1,2,3,4-tetrahydronaphthalene
CID 139848969
6-(4-propoxyphenyl)-2-(4-propylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139853601
6-(4-ethylphenyl)-2-(4-propylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139852181
6-ethoxy-2-[4-(4-pentylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139849675
6-but-3-enyl-2-[4-(4-butylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139849823
6-but-3-enyl-2-(4-ethenylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139849706
6-but-3-enyl-2-[4-(4-pentylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139848065
1-ethyl-4-oct-7-enoxybenzene
CID 158431404

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-6-pent-4-enoxy-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 2-(4-ethylphenyl)-6-pent-4-enoxy-1,2,3,4-tetrahydronaphthalene (CID 139849417) is 2-(4-ethylphenyl)-6-pent-4-enoxy-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 2-(4-ethylphenyl)-6-pent-4-enoxy-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 2-(4-ethylphenyl)-6-pent-4-enoxy-1,2,3,4-tetrahydronaphthalene is C=CCCCOc1ccc2c(c1)CCC(c1ccc(CC)cc1)C2.
What is the InChIKey of 2-(4-ethylphenyl)-6-pent-4-enoxy-1,2,3,4-tetrahydronaphthalene?
The InChIKey is JGHNCMCWUUKBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O/c1-3-5-6-15-24-23-14-13-21-16-20(11-12-22(21)17-23)19-9-7-18(4-2)8-10-19/h3,7-10,13-14,17,20H,1,4-6,11-12,15-16H2,2H3.
What are the key properties of 2-(4-ethylphenyl)-6-pent-4-enoxy-1,2,3,4-tetrahydronaphthalene?
2-(4-ethylphenyl)-6-pent-4-enoxy-1,2,3,4-tetrahydronaphthalene has a molecular weight of 320.48 g/mol, XLogP of 5.87, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-6-pent-4-enoxy-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139849417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).