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

C25H31FO — CID 139848315

IUPAC2-(4-butyl-2-fluorophenyl)-6-pent-3-enoxy-1,2,3,4-tetrahydronaphthalene
SMILESCC=CCCOc1ccc2c(c1)CCC(c1ccc(CCCC)cc1F)C2
InChIInChI=1S/C25H31FO/c1-3-5-7-15-27-23-13-12-20-17-22(11-10-21(20)18-23)24-14-9-19(8-6-4-2)16-25(24)26/h3,5,9,12-14,16,18,22H,4,6-8,10-11,15,17H2,1-2H3
InChIKeyWZJBVFGVERNVLL-UHFFFAOYSA-N
MW366.52 g/mol
LogP6.79
Rot. Bonds8

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

2-(4-butyl-2-fluorophenyl)-6-pent-3-enoxy-1,2,3,4-tetrahydronaphthalene (PubChem CID 139848315) has the molecular formula C25H31FO and a molecular weight of 366.52 g/mol. Its IUPAC name is 2-(4-butyl-2-fluorophenyl)-6-pent-3-enoxy-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name2-(4-butyl-2-fluorophenyl)-6-pent-3-enoxy-1,2,3,4-tetrahydronaphthalene
PubChem CID139848315
Molecular FormulaC25H31FO
Molecular Weight366.52 g/mol
Exact Mass366.24
IUPAC Name2-(4-butyl-2-fluorophenyl)-6-pent-3-enoxy-1,2,3,4-tetrahydronaphthalene
SMILESCC=CCCOc1ccc2c(c1)CCC(c1ccc(CCCC)cc1F)C2
InChIInChI=1S/C25H31FO/c1-3-5-7-15-27-23-13-12-20-17-22(11-10-21(20)18-23)24-14-9-19(8-6-4-2)16-25(24)26/h3,5,9,12-14,16,18,22H,4,6-8,10-11,15,17H2,1-2H3
InChIKeyWZJBVFGVERNVLL-UHFFFAOYSA-N
XLogP6.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.52
LogP ≤ 56.79
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-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-6-pent-3-enoxy-1,2,3,4-tetrahydronaphthalene
CID 139849045
2-(4-butyl-2-fluorophenyl)-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene
CID 139848035
2-(4-butyl-2-fluorophenyl)-6-propyl-1,2,3,4-tetrahydronaphthalene
CID 139848519
2-(6-but-2-enoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-6-butyl-1-fluoronaphthalene
CID 139849672
2-(4-but-3-enyl-2-fluorophenyl)-6-butyl-1,2,3,4-tetrahydronaphthalene
CID 139848528
6-ethyl-1-fluoro-2-(6-pent-3-enoxy-1,2,3,4-tetrahydronaphthalen-2-yl)naphthalene
CID 139849818
6-but-3-enoxy-2-(4-butylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139847809
1-fluoro-2-[6-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-pentylnaphthalene
CID 139848807
6-but-2-enoxy-2-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139848843
2-(4-ethyl-2-fluorophenyl)-6-propyl-1,2,3,4-tetrahydronaphthalene
CID 139848552
2-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-6-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalene
CID 139849040

Frequently Asked Questions

What is the IUPAC name of 2-(4-butyl-2-fluorophenyl)-6-pent-3-enoxy-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 2-(4-butyl-2-fluorophenyl)-6-pent-3-enoxy-1,2,3,4-tetrahydronaphthalene (CID 139848315) is 2-(4-butyl-2-fluorophenyl)-6-pent-3-enoxy-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 2-(4-butyl-2-fluorophenyl)-6-pent-3-enoxy-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 2-(4-butyl-2-fluorophenyl)-6-pent-3-enoxy-1,2,3,4-tetrahydronaphthalene is CC=CCCOc1ccc2c(c1)CCC(c1ccc(CCCC)cc1F)C2.
What is the InChIKey of 2-(4-butyl-2-fluorophenyl)-6-pent-3-enoxy-1,2,3,4-tetrahydronaphthalene?
The InChIKey is WZJBVFGVERNVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FO/c1-3-5-7-15-27-23-13-12-20-17-22(11-10-21(20)18-23)24-14-9-19(8-6-4-2)16-25(24)26/h3,5,9,12-14,16,18,22H,4,6-8,10-11,15,17H2,1-2H3.
What are the key properties of 2-(4-butyl-2-fluorophenyl)-6-pent-3-enoxy-1,2,3,4-tetrahydronaphthalene?
2-(4-butyl-2-fluorophenyl)-6-pent-3-enoxy-1,2,3,4-tetrahydronaphthalene has a molecular weight of 366.52 g/mol, XLogP of 6.79, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butyl-2-fluorophenyl)-6-pent-3-enoxy-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139848315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).