2-but-2-enoxy-6-(4-but-3-enylphenyl)-1-fluoronaphthalene

C24H23FO — CID 139863269

IUPAC2-but-2-enoxy-6-(4-but-3-enylphenyl)-1-fluoronaphthalene
SMILESC=CCCc1ccc(-c2ccc3c(F)c(OCC=CC)ccc3c2)cc1
InChIInChI=1S/C24H23FO/c1-3-5-7-18-8-10-19(11-9-18)20-12-14-22-21(17-20)13-15-23(24(22)25)26-16-6-4-2/h3-4,6,8-15,17H,1,5,7,16H2,2H3
InChIKeyNJPKDJPYQWKCDY-UHFFFAOYSA-N
MW346.45 g/mol
LogP6.72
Rot. Bonds7

About 2-but-2-enoxy-6-(4-but-3-enylphenyl)-1-fluoronaphthalene

2-but-2-enoxy-6-(4-but-3-enylphenyl)-1-fluoronaphthalene (PubChem CID 139863269) has the molecular formula C24H23FO and a molecular weight of 346.45 g/mol. Its IUPAC name is 2-but-2-enoxy-6-(4-but-3-enylphenyl)-1-fluoronaphthalene.

Molecular Properties

Compound Name2-but-2-enoxy-6-(4-but-3-enylphenyl)-1-fluoronaphthalene
PubChem CID139863269
Molecular FormulaC24H23FO
Molecular Weight346.45 g/mol
Exact Mass346.17
IUPAC Name2-but-2-enoxy-6-(4-but-3-enylphenyl)-1-fluoronaphthalene
SMILESC=CCCc1ccc(-c2ccc3c(F)c(OCC=CC)ccc3c2)cc1
InChIInChI=1S/C24H23FO/c1-3-5-7-18-8-10-19(11-9-18)20-12-14-22-21(17-20)13-15-23(24(22)25)26-16-6-4-2/h3-4,6,8-15,17H,1,5,7,16H2,2H3
InChIKeyNJPKDJPYQWKCDY-UHFFFAOYSA-N
XLogP6.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.45
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-but-2-enoxy-6-(4-but-3-enylphenyl)-1-fluoronaphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-but-2-enoxy-6-[2-(4-but-3-enylphenyl)-1,2-difluoroethenyl]-1-fluoronaphthalene
CID 139862619
6-(4-but-3-enylphenyl)-1-fluoro-2-(trifluoromethyl)naphthalene
CID 139855517
6-(4-but-3-enylphenyl)-3-(difluoromethoxy)-1-fluoro-2-prop-2-enoxynaphthalene
CID 139861394
6-(4-but-3-enylphenyl)-1-fluoronaphthalene-2-carbonitrile
CID 139817636
2-but-2-enoxy-1-fluoro-6-[2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethyl]naphthalene
CID 139862289
2-but-2-enoxy-3-(difluoromethoxy)-6-(4-ethylphenyl)-1-fluoronaphthalene
CID 139861606
6-but-2-enoxy-3-(difluoromethoxy)-1-fluoro-2-[4-[(E)-pent-3-enyl]phenyl]naphthalene
CID 139863150
2-[2-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1-fluoro-6-[4-[(E)-pent-3-enyl]phenyl]naphthalene
CID 139873466
2-but-3-enyl-1-fluoro-6-[2-[4-[2-[4-[(E)-pent-3-enyl]phenyl]ethynyl]phenyl]ethynyl]naphthalene
CID 139876225
1-fluoro-2-prop-2-enoxy-6-[2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethyl]naphthalene
CID 139860513
6-(4-but-3-enylphenyl)-2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-1-fluoronaphthalene
CID 139873017
6-(4-but-3-enylphenyl)-2-[2-(4-butylphenyl)ethynyl]-1-fluoronaphthalene
CID 139876405

Frequently Asked Questions

What is the IUPAC name of 2-but-2-enoxy-6-(4-but-3-enylphenyl)-1-fluoronaphthalene?
The IUPAC name of 2-but-2-enoxy-6-(4-but-3-enylphenyl)-1-fluoronaphthalene (CID 139863269) is 2-but-2-enoxy-6-(4-but-3-enylphenyl)-1-fluoronaphthalene.
What is the SMILES notation for 2-but-2-enoxy-6-(4-but-3-enylphenyl)-1-fluoronaphthalene?
The canonical SMILES for 2-but-2-enoxy-6-(4-but-3-enylphenyl)-1-fluoronaphthalene is C=CCCc1ccc(-c2ccc3c(F)c(OCC=CC)ccc3c2)cc1.
What is the InChIKey of 2-but-2-enoxy-6-(4-but-3-enylphenyl)-1-fluoronaphthalene?
The InChIKey is NJPKDJPYQWKCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FO/c1-3-5-7-18-8-10-19(11-9-18)20-12-14-22-21(17-20)13-15-23(24(22)25)26-16-6-4-2/h3-4,6,8-15,17H,1,5,7,16H2,2H3.
What are the key properties of 2-but-2-enoxy-6-(4-but-3-enylphenyl)-1-fluoronaphthalene?
2-but-2-enoxy-6-(4-but-3-enylphenyl)-1-fluoronaphthalene has a molecular weight of 346.45 g/mol, XLogP of 6.72, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-2-enoxy-6-(4-but-3-enylphenyl)-1-fluoronaphthalene is sourced from PubChem (CID 139863269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).