6-but-3-enoxy-2-(4-butylphenyl)-1,2,3,4-tetrahydronaphthalene

C24H30O — CID 139847809

IUPAC6-but-3-enoxy-2-(4-butylphenyl)-1,2,3,4-tetrahydronaphthalene
SMILESC=CCCOc1ccc2c(c1)CCC(c1ccc(CCCC)cc1)C2
InChIInChI=1S/C24H30O/c1-3-5-7-19-8-10-20(11-9-19)21-12-13-23-18-24(25-16-6-4-2)15-14-22(23)17-21/h4,8-11,14-15,18,21H,2-3,5-7,12-13,16-17H2,1H3
InChIKeyYVIQGQTZNFCWRV-UHFFFAOYSA-N
MW334.50 g/mol
LogP6.26
Rot. Bonds8

About 6-but-3-enoxy-2-(4-butylphenyl)-1,2,3,4-tetrahydronaphthalene

6-but-3-enoxy-2-(4-butylphenyl)-1,2,3,4-tetrahydronaphthalene (PubChem CID 139847809) has the molecular formula C24H30O and a molecular weight of 334.50 g/mol. Its IUPAC name is 6-but-3-enoxy-2-(4-butylphenyl)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-but-3-enoxy-2-(4-butylphenyl)-1,2,3,4-tetrahydronaphthalene
PubChem CID139847809
Molecular FormulaC24H30O
Molecular Weight334.50 g/mol
Exact Mass334.23
IUPAC Name6-but-3-enoxy-2-(4-butylphenyl)-1,2,3,4-tetrahydronaphthalene
SMILESC=CCCOc1ccc2c(c1)CCC(c1ccc(CCCC)cc1)C2
InChIInChI=1S/C24H30O/c1-3-5-7-19-8-10-20(11-9-19)21-12-13-23-18-24(25-16-6-4-2)15-14-22(23)17-21/h4,8-11,14-15,18,21H,2-3,5-7,12-13,16-17H2,1H3
InChIKeyYVIQGQTZNFCWRV-UHFFFAOYSA-N
XLogP6.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.50
LogP ≤ 56.26
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

2-(4-butylphenyl)-6-pent-3-enoxy-1,2,3,4-tetrahydronaphthalene
CID 139848040
2-(4-ethylphenyl)-6-pent-4-enoxy-1,2,3,4-tetrahydronaphthalene
CID 139849417
6-(4-propoxyphenyl)-2-(4-propylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139853601
2-(4-butyl-2-fluorophenyl)-6-pent-3-enoxy-1,2,3,4-tetrahydronaphthalene
CID 139848315
6-but-3-enyl-2-[4-(4-butylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139849823
2-[2-(4-ethylphenyl)ethyl]-6-pent-4-enoxy-1,2,3,4-tetrahydronaphthalene
CID 139849291
6-but-3-enyl-2-[4-(4-pentylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139848065
2-(4-pentylphenyl)-6-[(E)-prop-1-enyl]-1,2,3,4-tetrahydronaphthalene
CID 139849344
6-but-3-enoxy-2-(4-propylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
CID 139848082
2-(4-but-3-enyl-2-fluorophenyl)-6-butyl-1,2,3,4-tetrahydronaphthalene
CID 139848528
6-butyl-2-[4-(4-butylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139849519
6-ethoxy-2-[4-(4-pentylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139849675

Frequently Asked Questions

What is the IUPAC name of 6-but-3-enoxy-2-(4-butylphenyl)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-but-3-enoxy-2-(4-butylphenyl)-1,2,3,4-tetrahydronaphthalene (CID 139847809) is 6-but-3-enoxy-2-(4-butylphenyl)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-but-3-enoxy-2-(4-butylphenyl)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-but-3-enoxy-2-(4-butylphenyl)-1,2,3,4-tetrahydronaphthalene is C=CCCOc1ccc2c(c1)CCC(c1ccc(CCCC)cc1)C2.
What is the InChIKey of 6-but-3-enoxy-2-(4-butylphenyl)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is YVIQGQTZNFCWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O/c1-3-5-7-19-8-10-20(11-9-19)21-12-13-23-18-24(25-16-6-4-2)15-14-22(23)17-21/h4,8-11,14-15,18,21H,2-3,5-7,12-13,16-17H2,1H3.
What are the key properties of 6-but-3-enoxy-2-(4-butylphenyl)-1,2,3,4-tetrahydronaphthalene?
6-but-3-enoxy-2-(4-butylphenyl)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 334.50 g/mol, XLogP of 6.26, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-but-3-enoxy-2-(4-butylphenyl)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139847809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).