2-(4-ethenylcyclohexyl)-6-(2-fluoro-4-methoxyphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

C25H35FO — CID 139869567

IUPAC2-(4-ethenylcyclohexyl)-6-(2-fluoro-4-methoxyphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESC=CC1CCC(C2CCC3CC(c4ccc(OC)cc4F)CCC3C2)CC1
InChIInChI=1S/C25H35FO/c1-3-17-4-6-18(7-5-17)19-8-9-21-15-22(11-10-20(21)14-19)24-13-12-23(27-2)16-25(24)26/h3,12-13,16-22H,1,4-11,14-15H2,2H3
InChIKeyLQIQWIVMXPHSBB-UHFFFAOYSA-N
MW370.55 g/mol
LogP7.13
Rot. Bonds4

About 2-(4-ethenylcyclohexyl)-6-(2-fluoro-4-methoxyphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

2-(4-ethenylcyclohexyl)-6-(2-fluoro-4-methoxyphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (PubChem CID 139869567) has the molecular formula C25H35FO and a molecular weight of 370.55 g/mol. Its IUPAC name is 2-(4-ethenylcyclohexyl)-6-(2-fluoro-4-methoxyphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.

Molecular Properties

Compound Name2-(4-ethenylcyclohexyl)-6-(2-fluoro-4-methoxyphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
PubChem CID139869567
Molecular FormulaC25H35FO
Molecular Weight370.55 g/mol
Exact Mass370.27
IUPAC Name2-(4-ethenylcyclohexyl)-6-(2-fluoro-4-methoxyphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESC=CC1CCC(C2CCC3CC(c4ccc(OC)cc4F)CCC3C2)CC1
InChIInChI=1S/C25H35FO/c1-3-17-4-6-18(7-5-17)19-8-9-21-15-22(11-10-20(21)14-19)24-13-12-23(27-2)16-25(24)26/h3,12-13,16-22H,1,4-11,14-15H2,2H3
InChIKeyLQIQWIVMXPHSBB-UHFFFAOYSA-N
XLogP7.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.55
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(E)-but-2-enoxy]-2-fluorophenyl]-6-(4-ethenylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139868639
2-[4-(2-fluoro-4-methoxyphenyl)cyclohexyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139869390
2-ethenyl-6-[2-fluoro-4-(3-fluoro-4-methylphenyl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139870002
2-[4-[4-[(E)-but-2-enoxy]phenyl]-2-fluorophenyl]-6-ethenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139870497
2-ethenyl-6-(4-methoxyphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22384709
2-ethoxy-6-[4-(2-fluoro-4-prop-2-enoxyphenyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139867794
2-[4-(difluoromethoxy)phenyl]-6-(4-ethenylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139868354
(4-chloro-3-fluorophenyl) 4-(6-ethenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-fluorobenzoate
CID 139867967
(2-fluoro-4-methoxyphenyl) 4-(6-ethenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)benzoate
CID 139866119
2-[4-(2,3-difluoro-4-methylphenyl)-2-fluorophenyl]-6-ethenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139868531
2-[2-fluoro-4-(4-methoxyphenyl)phenyl]-6-[(E)-pent-3-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139867684
4-[4-(4-ethenylcyclohexyl)cyclohexyl]-2-fluoro-1-[4-(3-fluoro-4-propylphenyl)cyclohexyl]benzene
CID 88993492

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethenylcyclohexyl)-6-(2-fluoro-4-methoxyphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The IUPAC name of 2-(4-ethenylcyclohexyl)-6-(2-fluoro-4-methoxyphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (CID 139869567) is 2-(4-ethenylcyclohexyl)-6-(2-fluoro-4-methoxyphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.
What is the SMILES notation for 2-(4-ethenylcyclohexyl)-6-(2-fluoro-4-methoxyphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The canonical SMILES for 2-(4-ethenylcyclohexyl)-6-(2-fluoro-4-methoxyphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is C=CC1CCC(C2CCC3CC(c4ccc(OC)cc4F)CCC3C2)CC1.
What is the InChIKey of 2-(4-ethenylcyclohexyl)-6-(2-fluoro-4-methoxyphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The InChIKey is LQIQWIVMXPHSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35FO/c1-3-17-4-6-18(7-5-17)19-8-9-21-15-22(11-10-20(21)14-19)24-13-12-23(27-2)16-25(24)26/h3,12-13,16-22H,1,4-11,14-15H2,2H3.
What are the key properties of 2-(4-ethenylcyclohexyl)-6-(2-fluoro-4-methoxyphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
2-(4-ethenylcyclohexyl)-6-(2-fluoro-4-methoxyphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene has a molecular weight of 370.55 g/mol, XLogP of 7.13, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethenylcyclohexyl)-6-(2-fluoro-4-methoxyphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is sourced from PubChem (CID 139869567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).