1-butoxy-4-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene

C24H25FO — CID 23391143

IUPAC1-butoxy-4-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene
SMILESCCCCOc1ccc(-c2ccc(-c3ccc(CC)cc3)cc2)cc1F
InChIInChI=1S/C24H25FO/c1-3-5-16-26-24-15-14-22(17-23(24)25)21-12-10-20(11-13-21)19-8-6-18(4-2)7-9-19/h6-15,17H,3-5,16H2,1-2H3
InChIKeyHNNBMWJBHHYBME-UHFFFAOYSA-N
MW348.46 g/mol
LogP6.90
Rot. Bonds7

About 1-butoxy-4-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene

1-butoxy-4-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene (PubChem CID 23391143) has the molecular formula C24H25FO and a molecular weight of 348.46 g/mol. Its IUPAC name is 1-butoxy-4-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene.

Molecular Properties

Compound Name1-butoxy-4-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene
PubChem CID23391143
Molecular FormulaC24H25FO
Molecular Weight348.46 g/mol
Exact Mass348.19
IUPAC Name1-butoxy-4-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene
SMILESCCCCOc1ccc(-c2ccc(-c3ccc(CC)cc3)cc2)cc1F
InChIInChI=1S/C24H25FO/c1-3-5-16-26-24-15-14-22(17-23(24)25)21-12-10-20(11-13-21)19-8-6-18(4-2)7-9-19/h6-15,17H,3-5,16H2,1-2H3
InChIKeyHNNBMWJBHHYBME-UHFFFAOYSA-N
XLogP6.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.46
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-1-hexoxy-4-[4-(4-pentylphenyl)phenyl]benzene
CID 101490841
2-fluoro-4-(3-fluoro-4-propoxyphenyl)-1-propoxybenzene
CID 19799924
1-butoxy-2-fluoro-4-[2-fluoro-4-(4-methylphenyl)phenyl]benzene
CID 23391139
5-ethyl-2-(3-fluoro-4-octadecoxyphenyl)pyridine
CID 21286193
2-fluoro-4-(3-fluorophenyl)-1-hexoxybenzene
CID 57117774
(4-ethyl-2-fluorophenyl) 4-(3-fluoro-4-nonoxyphenyl)benzoate;(2-fluoro-4-propylphenyl) 4-(3-fluoro-4-nonoxyphenyl)benzoate
CID 88595180
2-fluoro-1-[2-fluoro-4-(4-octoxyphenyl)phenoxy]-4-(4-octoxyphenyl)benzene
CID 56630470
(2-fluoro-4-nonylphenyl) 4-(3-fluoro-4-heptoxyphenyl)benzoate
CID 57225673
(2-fluoro-4-pentylphenyl) 4-(3-fluoro-4-hexoxyphenyl)benzoate
CID 57135080
2-fluoro-4-(3-fluoro-4-hexoxyphenyl)-1-phenylmethoxybenzene
CID 19430958
1-dodecoxy-2-fluoro-4-[4-(6-methyloctyl)phenyl]benzene
CID 21248151
(3-fluoro-4-octoxyphenyl) 4-(3-fluoro-4-octoxyphenyl)benzoate
CID 57211549

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-4-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene?
The IUPAC name of 1-butoxy-4-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene (CID 23391143) is 1-butoxy-4-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene.
What is the SMILES notation for 1-butoxy-4-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene?
The canonical SMILES for 1-butoxy-4-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene is CCCCOc1ccc(-c2ccc(-c3ccc(CC)cc3)cc2)cc1F.
What is the InChIKey of 1-butoxy-4-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene?
The InChIKey is HNNBMWJBHHYBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FO/c1-3-5-16-26-24-15-14-22(17-23(24)25)21-12-10-20(11-13-21)19-8-6-18(4-2)7-9-19/h6-15,17H,3-5,16H2,1-2H3.
What are the key properties of 1-butoxy-4-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene?
1-butoxy-4-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene has a molecular weight of 348.46 g/mol, XLogP of 6.90, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-4-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene is sourced from PubChem (CID 23391143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).