6-but-3-enyl-2-(4-ethenylphenyl)-1,2,3,4-tetrahydronaphthalene

C22H24 — CID 139849706

IUPAC6-but-3-enyl-2-(4-ethenylphenyl)-1,2,3,4-tetrahydronaphthalene
SMILESC=CCCc1ccc2c(c1)CCC(c1ccc(C=C)cc1)C2
InChIInChI=1S/C22H24/c1-3-5-6-18-9-12-22-16-21(14-13-20(22)15-18)19-10-7-17(4-2)8-11-19/h3-4,7-12,15,21H,1-2,5-6,13-14,16H2
InChIKeyPHVDHPIUNHQIKW-UHFFFAOYSA-N
MW288.43 g/mol
LogP5.72
Rot. Bonds5

About 6-but-3-enyl-2-(4-ethenylphenyl)-1,2,3,4-tetrahydronaphthalene

6-but-3-enyl-2-(4-ethenylphenyl)-1,2,3,4-tetrahydronaphthalene (PubChem CID 139849706) has the molecular formula C22H24 and a molecular weight of 288.43 g/mol. Its IUPAC name is 6-but-3-enyl-2-(4-ethenylphenyl)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-but-3-enyl-2-(4-ethenylphenyl)-1,2,3,4-tetrahydronaphthalene
PubChem CID139849706
Molecular FormulaC22H24
Molecular Weight288.43 g/mol
Exact Mass288.19
IUPAC Name6-but-3-enyl-2-(4-ethenylphenyl)-1,2,3,4-tetrahydronaphthalene
SMILESC=CCCc1ccc2c(c1)CCC(c1ccc(C=C)cc1)C2
InChIInChI=1S/C22H24/c1-3-5-6-18-9-12-22-16-21(14-13-20(22)15-18)19-10-7-17(4-2)8-11-19/h3-4,7-12,15,21H,1-2,5-6,13-14,16H2
InChIKeyPHVDHPIUNHQIKW-UHFFFAOYSA-N
XLogP5.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.43
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

6-but-3-enyl-2-(4-ethenyl-2,6-difluorophenyl)-1,2,3,4-tetrahydronaphthalene
CID 139849251
6-but-3-enyl-2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139849735
6-but-3-enyl-2-[4-(4-butylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139849823
6-but-3-enyl-2-[4-(4-pentylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139848065
2-[4-(4-but-3-enylcyclohexyl)phenyl]-6-ethyl-1,2,3,4-tetrahydronaphthalene
CID 139849353
6-but-3-enyl-2-(2,6-difluoro-4-propylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139849868
2-(4-but-3-enyl-2,6-difluorophenyl)-6-ethyl-1,2,3,4-tetrahydronaphthalene
CID 139847826
2-(4-but-3-enyl-2-fluorophenyl)-6-butyl-1,2,3,4-tetrahydronaphthalene
CID 139848528
2-(4-but-3-enylphenyl)-7-fluoro-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene
CID 139847963
6-but-3-enoxy-2-(4-butylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139847809
2-(4-ethylphenyl)-6-pent-4-enoxy-1,2,3,4-tetrahydronaphthalene
CID 139849417
6-but-3-enyl-2-[4-(4-butylcyclohexyl)-2,6-difluorophenyl]-1,2,3,4-tetrahydronaphthalene
CID 139849781

Frequently Asked Questions

What is the IUPAC name of 6-but-3-enyl-2-(4-ethenylphenyl)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-but-3-enyl-2-(4-ethenylphenyl)-1,2,3,4-tetrahydronaphthalene (CID 139849706) is 6-but-3-enyl-2-(4-ethenylphenyl)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-but-3-enyl-2-(4-ethenylphenyl)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-but-3-enyl-2-(4-ethenylphenyl)-1,2,3,4-tetrahydronaphthalene is C=CCCc1ccc2c(c1)CCC(c1ccc(C=C)cc1)C2.
What is the InChIKey of 6-but-3-enyl-2-(4-ethenylphenyl)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is PHVDHPIUNHQIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24/c1-3-5-6-18-9-12-22-16-21(14-13-20(22)15-18)19-10-7-17(4-2)8-11-19/h3-4,7-12,15,21H,1-2,5-6,13-14,16H2.
What are the key properties of 6-but-3-enyl-2-(4-ethenylphenyl)-1,2,3,4-tetrahydronaphthalene?
6-but-3-enyl-2-(4-ethenylphenyl)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 288.43 g/mol, XLogP of 5.72, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-but-3-enyl-2-(4-ethenylphenyl)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139849706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).