6-but-2-enoxy-2-[2-[4-(4-but-3-enylcyclohexyl)phenyl]ethyl]-1-fluoronaphthalene

C32H37FO — CID 139864036

IUPAC6-but-2-enoxy-2-[2-[4-(4-but-3-enylcyclohexyl)phenyl]ethyl]-1-fluoronaphthalene
SMILESC=CCCC1CCC(c2ccc(CCc3ccc4cc(OCC=CC)ccc4c3F)cc2)CC1
InChIInChI=1S/C32H37FO/c1-3-5-7-24-8-13-26(14-9-24)27-15-10-25(11-16-27)12-17-28-18-19-29-23-30(34-22-6-4-2)20-21-31(29)32(28)33/h3-4,6,10-11,15-16,18-21,23-24,26H,1,5,7-9,12-14,17,22H2,2H3
InChIKeyWCWYYFGOFZDKGJ-UHFFFAOYSA-N
MW456.65 g/mol
LogP8.96
Rot. Bonds10

About 6-but-2-enoxy-2-[2-[4-(4-but-3-enylcyclohexyl)phenyl]ethyl]-1-fluoronaphthalene

6-but-2-enoxy-2-[2-[4-(4-but-3-enylcyclohexyl)phenyl]ethyl]-1-fluoronaphthalene (PubChem CID 139864036) has the molecular formula C32H37FO and a molecular weight of 456.65 g/mol. Its IUPAC name is 6-but-2-enoxy-2-[2-[4-(4-but-3-enylcyclohexyl)phenyl]ethyl]-1-fluoronaphthalene.

Molecular Properties

Compound Name6-but-2-enoxy-2-[2-[4-(4-but-3-enylcyclohexyl)phenyl]ethyl]-1-fluoronaphthalene
PubChem CID139864036
Molecular FormulaC32H37FO
Molecular Weight456.65 g/mol
Exact Mass456.28
IUPAC Name6-but-2-enoxy-2-[2-[4-(4-but-3-enylcyclohexyl)phenyl]ethyl]-1-fluoronaphthalene
SMILESC=CCCC1CCC(c2ccc(CCc3ccc4cc(OCC=CC)ccc4c3F)cc2)CC1
InChIInChI=1S/C32H37FO/c1-3-5-7-24-8-13-26(14-9-24)27-15-10-25(11-16-27)12-17-28-18-19-29-23-30(34-22-6-4-2)20-21-31(29)32(28)33/h3-4,6,10-11,15-16,18-21,23-24,26H,1,5,7-9,12-14,17,22H2,2H3
InChIKeyWCWYYFGOFZDKGJ-UHFFFAOYSA-N
XLogP8.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.65
LogP ≤ 58.96
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

6-but-2-enoxy-1-fluoro-2-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]naphthalene
CID 139864218
6-[4-[2-(4-but-3-enylcyclohexyl)ethyl]cyclohexyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene
CID 139863783
2-[2-[4-(4-but-3-enylcyclohexyl)phenyl]ethyl]-6-prop-2-enoxynaphthalene
CID 139863023
2-but-2-enoxy-6-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]naphthalene
CID 139862836
6-[2-[4-(4-but-3-enylcyclohexyl)phenyl]ethynyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene
CID 139876937
1-fluoro-6-[4-[(E)-pent-3-enyl]cyclohexyl]-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene
CID 139872751
3-[2-[4-(4-but-3-enylcyclohexyl)phenyl]ethyl]-1,2-difluoro-7-methoxynaphthalene
CID 139861474
6-(4-but-3-enylcyclohexyl)-1-fluoro-2-[2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalene
CID 139874600
3-[2-[4-(4-but-3-enylcyclohexyl)phenyl]ethyl]-7-ethyl-1,2-difluoronaphthalene
CID 139863740
6-(4-but-3-enylcyclohexyl)-1-fluoro-2-pentylnaphthalene
CID 139860678
3-but-3-enyl-7-[2-[4-(4-but-3-enylcyclohexyl)phenyl]ethyl]-1,2-difluoronaphthalene
CID 139861848
2-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-1-fluoro-6-prop-2-enoxynaphthalene
CID 139860510

Frequently Asked Questions

What is the IUPAC name of 6-but-2-enoxy-2-[2-[4-(4-but-3-enylcyclohexyl)phenyl]ethyl]-1-fluoronaphthalene?
The IUPAC name of 6-but-2-enoxy-2-[2-[4-(4-but-3-enylcyclohexyl)phenyl]ethyl]-1-fluoronaphthalene (CID 139864036) is 6-but-2-enoxy-2-[2-[4-(4-but-3-enylcyclohexyl)phenyl]ethyl]-1-fluoronaphthalene.
What is the SMILES notation for 6-but-2-enoxy-2-[2-[4-(4-but-3-enylcyclohexyl)phenyl]ethyl]-1-fluoronaphthalene?
The canonical SMILES for 6-but-2-enoxy-2-[2-[4-(4-but-3-enylcyclohexyl)phenyl]ethyl]-1-fluoronaphthalene is C=CCCC1CCC(c2ccc(CCc3ccc4cc(OCC=CC)ccc4c3F)cc2)CC1.
What is the InChIKey of 6-but-2-enoxy-2-[2-[4-(4-but-3-enylcyclohexyl)phenyl]ethyl]-1-fluoronaphthalene?
The InChIKey is WCWYYFGOFZDKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37FO/c1-3-5-7-24-8-13-26(14-9-24)27-15-10-25(11-16-27)12-17-28-18-19-29-23-30(34-22-6-4-2)20-21-31(29)32(28)33/h3-4,6,10-11,15-16,18-21,23-24,26H,1,5,7-9,12-14,17,22H2,2H3.
What are the key properties of 6-but-2-enoxy-2-[2-[4-(4-but-3-enylcyclohexyl)phenyl]ethyl]-1-fluoronaphthalene?
6-but-2-enoxy-2-[2-[4-(4-but-3-enylcyclohexyl)phenyl]ethyl]-1-fluoronaphthalene has a molecular weight of 456.65 g/mol, XLogP of 8.96, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-but-2-enoxy-2-[2-[4-(4-but-3-enylcyclohexyl)phenyl]ethyl]-1-fluoronaphthalene is sourced from PubChem (CID 139864036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).