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

C24H29F — CID 139848528

IUPAC2-(4-but-3-enyl-2-fluorophenyl)-6-butyl-1,2,3,4-tetrahydronaphthalene
SMILESC=CCCc1ccc(C2CCc3cc(CCCC)ccc3C2)c(F)c1
InChIInChI=1S/C24H29F/c1-3-5-7-18-9-11-21-17-22(13-12-20(21)15-18)23-14-10-19(8-6-4-2)16-24(23)25/h4,9-11,14-16,22H,2-3,5-8,12-13,17H2,1H3
InChIKeyXQYMRNUSRGLRDP-UHFFFAOYSA-N
MW336.49 g/mol
LogP6.56
Rot. Bonds7

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

2-(4-but-3-enyl-2-fluorophenyl)-6-butyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 139848528) has the molecular formula C24H29F and a molecular weight of 336.49 g/mol. Its IUPAC name is 2-(4-but-3-enyl-2-fluorophenyl)-6-butyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name2-(4-but-3-enyl-2-fluorophenyl)-6-butyl-1,2,3,4-tetrahydronaphthalene
PubChem CID139848528
Molecular FormulaC24H29F
Molecular Weight336.49 g/mol
Exact Mass336.23
IUPAC Name2-(4-but-3-enyl-2-fluorophenyl)-6-butyl-1,2,3,4-tetrahydronaphthalene
SMILESC=CCCc1ccc(C2CCc3cc(CCCC)ccc3C2)c(F)c1
InChIInChI=1S/C24H29F/c1-3-5-7-18-9-11-21-17-22(13-12-20(21)15-18)23-14-10-19(8-6-4-2)16-24(23)25/h4,9-11,14-16,22H,2-3,5-8,12-13,17H2,1H3
InChIKeyXQYMRNUSRGLRDP-UHFFFAOYSA-N
XLogP6.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.49
LogP ≤ 56.56
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

2-(4-butyl-2-fluorophenyl)-6-propyl-1,2,3,4-tetrahydronaphthalene
CID 139848519
6-but-3-enyl-2-(2,6-difluoro-4-propylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139849868
2-(4-butyl-2-fluorophenyl)-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene
CID 139848035
2-(4-ethyl-2-fluorophenyl)-6-propyl-1,2,3,4-tetrahydronaphthalene
CID 139848552
2-(4-but-3-enyl-2,6-difluorophenyl)-6-ethyl-1,2,3,4-tetrahydronaphthalene
CID 139847826
2-(4-butyl-2-fluorophenyl)-6-pent-3-enoxy-1,2,3,4-tetrahydronaphthalene
CID 139848315
2-(6-but-3-enyl-1,2,3,4-tetrahydronaphthalen-2-yl)-6-ethyl-1-fluoronaphthalene
CID 139848411
6-but-3-enyl-2-[4-(4-butylcyclohexyl)-2,6-difluorophenyl]-1,2,3,4-tetrahydronaphthalene
CID 139849781
6-but-3-enyl-2-[4-(4-butylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139849823
6-but-3-enyl-2-(4-ethenyl-2,6-difluorophenyl)-1,2,3,4-tetrahydronaphthalene
CID 139849251
2-(4-butyl-2-fluorophenyl)-6-[2-(2,3-difluorophenyl)ethynyl]-1,2,3,4-tetrahydronaphthalene
CID 139853455
6-but-3-enyl-2-[4-(4-pentylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139848065

Frequently Asked Questions

What is the IUPAC name of 2-(4-but-3-enyl-2-fluorophenyl)-6-butyl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 2-(4-but-3-enyl-2-fluorophenyl)-6-butyl-1,2,3,4-tetrahydronaphthalene (CID 139848528) is 2-(4-but-3-enyl-2-fluorophenyl)-6-butyl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 2-(4-but-3-enyl-2-fluorophenyl)-6-butyl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 2-(4-but-3-enyl-2-fluorophenyl)-6-butyl-1,2,3,4-tetrahydronaphthalene is C=CCCc1ccc(C2CCc3cc(CCCC)ccc3C2)c(F)c1.
What is the InChIKey of 2-(4-but-3-enyl-2-fluorophenyl)-6-butyl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is XQYMRNUSRGLRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F/c1-3-5-7-18-9-11-21-17-22(13-12-20(21)15-18)23-14-10-19(8-6-4-2)16-24(23)25/h4,9-11,14-16,22H,2-3,5-8,12-13,17H2,1H3.
What are the key properties of 2-(4-but-3-enyl-2-fluorophenyl)-6-butyl-1,2,3,4-tetrahydronaphthalene?
2-(4-but-3-enyl-2-fluorophenyl)-6-butyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 336.49 g/mol, XLogP of 6.56, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-but-3-enyl-2-fluorophenyl)-6-butyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139848528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).