2-but-3-enyl-1-(difluoromethoxy)-6-(4-pentylphenyl)naphthalene

C26H28F2O — CID 139860637

IUPAC2-but-3-enyl-1-(difluoromethoxy)-6-(4-pentylphenyl)naphthalene
SMILESC=CCCc1ccc2cc(-c3ccc(CCCCC)cc3)ccc2c1OC(F)F
InChIInChI=1S/C26H28F2O/c1-3-5-7-8-19-10-12-20(13-11-19)22-16-17-24-23(18-22)15-14-21(9-6-4-2)25(24)29-26(27)28/h4,10-18,26H,2-3,5-9H2,1H3
InChIKeyFZGYNHUGUZLQRH-UHFFFAOYSA-N
MW394.51 g/mol
LogP7.96
Rot. Bonds10

About 2-but-3-enyl-1-(difluoromethoxy)-6-(4-pentylphenyl)naphthalene

2-but-3-enyl-1-(difluoromethoxy)-6-(4-pentylphenyl)naphthalene (PubChem CID 139860637) has the molecular formula C26H28F2O and a molecular weight of 394.51 g/mol. Its IUPAC name is 2-but-3-enyl-1-(difluoromethoxy)-6-(4-pentylphenyl)naphthalene.

Molecular Properties

Compound Name2-but-3-enyl-1-(difluoromethoxy)-6-(4-pentylphenyl)naphthalene
PubChem CID139860637
Molecular FormulaC26H28F2O
Molecular Weight394.51 g/mol
Exact Mass394.21
IUPAC Name2-but-3-enyl-1-(difluoromethoxy)-6-(4-pentylphenyl)naphthalene
SMILESC=CCCc1ccc2cc(-c3ccc(CCCCC)cc3)ccc2c1OC(F)F
InChIInChI=1S/C26H28F2O/c1-3-5-7-8-19-10-12-20(13-11-19)22-16-17-24-23(18-22)15-14-21(9-6-4-2)25(24)29-26(27)28/h4,10-18,26H,2-3,5-9H2,1H3
InChIKeyFZGYNHUGUZLQRH-UHFFFAOYSA-N
XLogP7.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.51
LogP ≤ 57.96
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

1-(difluoromethoxy)-2-ethyl-6-(4-pentylphenyl)naphthalene
CID 139860834
1-(difluoromethoxy)-6-(4-ethylphenyl)-2-propylnaphthalene
CID 139863904
2-but-3-enyl-6-(4-pentylphenyl)naphthalene
CID 139860505
2-but-3-enyl-1-fluoro-6-[2-[4-(4-heptylphenyl)phenyl]ethynyl]naphthalene
CID 139877448
2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoro-6-(4-hexylphenyl)naphthalene
CID 139875090
7,20-bis(4-dodecylphenyl)hexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaene
CID 58411450
6-(4-but-3-enylphenyl)-1-fluoro-2-[2-(4-heptylphenyl)ethynyl]naphthalene
CID 139877097
2-[2-(4-but-3-enylphenyl)ethynyl]-1-fluoro-6-(4-heptylphenyl)naphthalene
CID 139876511
2-but-3-enyl-1-fluoro-6-[2-[4-[2-(4-pentylphenyl)ethyl]phenyl]ethynyl]naphthalene
CID 139876660
2-but-3-enyl-3-(difluoromethoxy)-1-fluoro-6-(4-propylphenyl)naphthalene
CID 139860531
2-but-3-enyl-6-[4-(difluoromethoxy)phenyl]naphthalene;2-[4-(difluoromethoxy)-3-fluorophenyl]-6-ethylnaphthalene;2-[4-(difluoromethoxy)phenyl]-6-heptylnaphthalene
CID 161476362
6-(2,6-difluoro-4-heptylphenyl)-2-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-fluoronaphthalene
CID 139873860

Frequently Asked Questions

What is the IUPAC name of 2-but-3-enyl-1-(difluoromethoxy)-6-(4-pentylphenyl)naphthalene?
The IUPAC name of 2-but-3-enyl-1-(difluoromethoxy)-6-(4-pentylphenyl)naphthalene (CID 139860637) is 2-but-3-enyl-1-(difluoromethoxy)-6-(4-pentylphenyl)naphthalene.
What is the SMILES notation for 2-but-3-enyl-1-(difluoromethoxy)-6-(4-pentylphenyl)naphthalene?
The canonical SMILES for 2-but-3-enyl-1-(difluoromethoxy)-6-(4-pentylphenyl)naphthalene is C=CCCc1ccc2cc(-c3ccc(CCCCC)cc3)ccc2c1OC(F)F.
What is the InChIKey of 2-but-3-enyl-1-(difluoromethoxy)-6-(4-pentylphenyl)naphthalene?
The InChIKey is FZGYNHUGUZLQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F2O/c1-3-5-7-8-19-10-12-20(13-11-19)22-16-17-24-23(18-22)15-14-21(9-6-4-2)25(24)29-26(27)28/h4,10-18,26H,2-3,5-9H2,1H3.
What are the key properties of 2-but-3-enyl-1-(difluoromethoxy)-6-(4-pentylphenyl)naphthalene?
2-but-3-enyl-1-(difluoromethoxy)-6-(4-pentylphenyl)naphthalene has a molecular weight of 394.51 g/mol, XLogP of 7.96, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enyl-1-(difluoromethoxy)-6-(4-pentylphenyl)naphthalene is sourced from PubChem (CID 139860637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).