1-fluoro-4-[3-(6-phenylhexyl)phenoxy]benzene

C24H25FO — CID 58531395

IUPAC1-fluoro-4-[3-(6-phenylhexyl)phenoxy]benzene
SMILESFc1ccc(Oc2cccc(CCCCCCc3ccccc3)c2)cc1
InChIInChI=1S/C24H25FO/c25-22-15-17-23(18-16-22)26-24-14-8-13-21(19-24)12-5-2-1-4-9-20-10-6-3-7-11-20/h3,6-8,10-11,13-19H,1-2,4-5,9,12H2
InChIKeyPXDUAAXPRBXZHE-UHFFFAOYSA-N
MW348.46 g/mol
LogP6.96
Rot. Bonds9

About 1-fluoro-4-[3-(6-phenylhexyl)phenoxy]benzene

1-fluoro-4-[3-(6-phenylhexyl)phenoxy]benzene (PubChem CID 58531395) has the molecular formula C24H25FO and a molecular weight of 348.46 g/mol. Its IUPAC name is 1-fluoro-4-[3-(6-phenylhexyl)phenoxy]benzene.

Molecular Properties

Compound Name1-fluoro-4-[3-(6-phenylhexyl)phenoxy]benzene
PubChem CID58531395
Molecular FormulaC24H25FO
Molecular Weight348.46 g/mol
Exact Mass348.19
IUPAC Name1-fluoro-4-[3-(6-phenylhexyl)phenoxy]benzene
SMILESFc1ccc(Oc2cccc(CCCCCCc3ccccc3)c2)cc1
InChIInChI=1S/C24H25FO/c25-22-15-17-23(18-16-22)26-24-14-8-13-21(19-24)12-5-2-1-4-9-20-10-6-3-7-11-20/h3,6-8,10-11,13-19H,1-2,4-5,9,12H2
InChIKeyPXDUAAXPRBXZHE-UHFFFAOYSA-N
XLogP6.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.46
LogP ≤ 56.96
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

1-phenoxy-3-(3-phenylpropyl)benzene
CID 173282204
5-(3-phenoxyphenyl)pentan-1-amine
CID 175525700
6-(3-phenoxyphenyl)hexan-1-ol
CID 70473652
1-fluoro-4-(3-propylphenoxy)benzene
CID 54416846
1-phenoxy-3-[2-(3-phenoxyphenyl)ethyl]benzene
CID 3046200
1-(3-iodopropyl)-3-(4-phenoxyphenoxy)benzene
CID 25223171
1-(3-chloropropyl)-3-phenoxybenzene
CID 14030253
1-fluoro-4-[3-[3-[3-[3-(4-fluorophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]benzene
CID 22338364
2-[3-(4-fluorophenoxy)phenyl]acetic acid
CID 138754182
1-pentyl-3-(4-propylphenoxy)benzene
CID 58062247
2-[3-(4-fluorophenoxy)phenyl]acetaldehyde
CID 170962590
1-(4-cyclopropylbutyl)-3-phenoxybenzene
CID 150391471

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[3-(6-phenylhexyl)phenoxy]benzene?
The IUPAC name of 1-fluoro-4-[3-(6-phenylhexyl)phenoxy]benzene (CID 58531395) is 1-fluoro-4-[3-(6-phenylhexyl)phenoxy]benzene.
What is the SMILES notation for 1-fluoro-4-[3-(6-phenylhexyl)phenoxy]benzene?
The canonical SMILES for 1-fluoro-4-[3-(6-phenylhexyl)phenoxy]benzene is Fc1ccc(Oc2cccc(CCCCCCc3ccccc3)c2)cc1.
What is the InChIKey of 1-fluoro-4-[3-(6-phenylhexyl)phenoxy]benzene?
The InChIKey is PXDUAAXPRBXZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FO/c25-22-15-17-23(18-16-22)26-24-14-8-13-21(19-24)12-5-2-1-4-9-20-10-6-3-7-11-20/h3,6-8,10-11,13-19H,1-2,4-5,9,12H2.
What are the key properties of 1-fluoro-4-[3-(6-phenylhexyl)phenoxy]benzene?
1-fluoro-4-[3-(6-phenylhexyl)phenoxy]benzene has a molecular weight of 348.46 g/mol, XLogP of 6.96, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[3-(6-phenylhexyl)phenoxy]benzene is sourced from PubChem (CID 58531395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).