2-(4-ethoxyphenyl)-1-fluoro-6-[(E)-pent-3-enyl]naphthalene

C23H23FO — CID 139861883

IUPAC2-(4-ethoxyphenyl)-1-fluoro-6-[(E)-pent-3-enyl]naphthalene
SMILESC/C=C/CCc1ccc2c(F)c(-c3ccc(OCC)cc3)ccc2c1
InChIInChI=1S/C23H23FO/c1-3-5-6-7-17-8-14-22-19(16-17)11-15-21(23(22)24)18-9-12-20(13-10-18)25-4-2/h3,5,8-16H,4,6-7H2,1-2H3/b5-3+
InChIKeyRSCYPOSDZKKTQE-HWKANZROSA-N
MW334.43 g/mol
LogP6.55
Rot. Bonds6

About 2-(4-ethoxyphenyl)-1-fluoro-6-[(E)-pent-3-enyl]naphthalene

2-(4-ethoxyphenyl)-1-fluoro-6-[(E)-pent-3-enyl]naphthalene (PubChem CID 139861883) has the molecular formula C23H23FO and a molecular weight of 334.43 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-1-fluoro-6-[(E)-pent-3-enyl]naphthalene.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-1-fluoro-6-[(E)-pent-3-enyl]naphthalene
PubChem CID139861883
Molecular FormulaC23H23FO
Molecular Weight334.43 g/mol
Exact Mass334.17
IUPAC Name2-(4-ethoxyphenyl)-1-fluoro-6-[(E)-pent-3-enyl]naphthalene
SMILESC/C=C/CCc1ccc2c(F)c(-c3ccc(OCC)cc3)ccc2c1
InChIInChI=1S/C23H23FO/c1-3-5-6-7-17-8-14-22-19(16-17)11-15-21(23(22)24)18-9-12-20(13-10-18)25-4-2/h3,5,8-16H,4,6-7H2,1-2H3/b5-3+
InChIKeyRSCYPOSDZKKTQE-HWKANZROSA-N
XLogP6.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.43
LogP ≤ 56.55
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-ethylphenyl)-1-fluoro-6-[2-[4-[(E)-pent-3-enyl]phenyl]ethynyl]naphthalene
CID 139875768
6-[2-(4-butylphenyl)ethynyl]-1-fluoro-2-[4-[(E)-pent-3-enyl]phenyl]naphthalene
CID 139877090
1-ethoxy-4-[(E)-pent-3-enyl]benzene
CID 22095339
3-(4-but-2-enoxyphenyl)-1,2-difluoro-7-propylnaphthalene
CID 139861373
1-fluoro-2-[2-[4-(4-methylphenyl)phenyl]ethynyl]-6-[(E)-pent-3-enyl]naphthalene
CID 139875847
1-fluoro-2-[2-(4-fluorophenyl)ethyl]-6-[2-[4-[(E)-pent-3-enyl]phenyl]ethyl]naphthalene
CID 139872490
2-[2-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1-fluoro-6-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]naphthalene
CID 139873036
2-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]-6-(2,2,2-trifluoroethoxy)naphthalene
CID 139855856
2-[2-(4-chlorophenyl)ethyl]-6-[2-(4-ethoxyphenyl)ethyl]-1-fluoronaphthalene
CID 139870838
1-fluoro-6-[2-(4-hexylphenyl)ethyl]-2-[2-[4-[(E)-pent-3-enyl]phenyl]ethynyl]naphthalene
CID 139876878
2-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethynyl]-1-fluoro-6-[(E)-pent-3-enyl]naphthalene
CID 139851474
1-fluoro-6-hexyl-2-[2-[4-[2-[4-[(E)-pent-3-enyl]phenyl]ethyl]phenyl]ethynyl]naphthalene
CID 139876672

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-1-fluoro-6-[(E)-pent-3-enyl]naphthalene?
The IUPAC name of 2-(4-ethoxyphenyl)-1-fluoro-6-[(E)-pent-3-enyl]naphthalene (CID 139861883) is 2-(4-ethoxyphenyl)-1-fluoro-6-[(E)-pent-3-enyl]naphthalene.
What is the SMILES notation for 2-(4-ethoxyphenyl)-1-fluoro-6-[(E)-pent-3-enyl]naphthalene?
The canonical SMILES for 2-(4-ethoxyphenyl)-1-fluoro-6-[(E)-pent-3-enyl]naphthalene is C/C=C/CCc1ccc2c(F)c(-c3ccc(OCC)cc3)ccc2c1.
What is the InChIKey of 2-(4-ethoxyphenyl)-1-fluoro-6-[(E)-pent-3-enyl]naphthalene?
The InChIKey is RSCYPOSDZKKTQE-HWKANZROSA-N. The full InChI is InChI=1S/C23H23FO/c1-3-5-6-7-17-8-14-22-19(16-17)11-15-21(23(22)24)18-9-12-20(13-10-18)25-4-2/h3,5,8-16H,4,6-7H2,1-2H3/b5-3+.
What are the key properties of 2-(4-ethoxyphenyl)-1-fluoro-6-[(E)-pent-3-enyl]naphthalene?
2-(4-ethoxyphenyl)-1-fluoro-6-[(E)-pent-3-enyl]naphthalene has a molecular weight of 334.43 g/mol, XLogP of 6.55, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-1-fluoro-6-[(E)-pent-3-enyl]naphthalene is sourced from PubChem (CID 139861883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).