[4-fluorobutoxy(diphenyl)methyl]benzene

C23H23FO — CID 135012512

IUPAC[4-fluorobutoxy(diphenyl)methyl]benzene
SMILESFCCCCOC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H23FO/c24-18-10-11-19-25-23(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-9,12-17H,10-11,18-19H2
InChIKeyCCLHLEQUZDNYCP-UHFFFAOYSA-N
MW334.43 g/mol
LogP5.74
Rot. Bonds8

About [4-fluorobutoxy(diphenyl)methyl]benzene

[4-fluorobutoxy(diphenyl)methyl]benzene (PubChem CID 135012512) has the molecular formula C23H23FO and a molecular weight of 334.43 g/mol. Its IUPAC name is [4-fluorobutoxy(diphenyl)methyl]benzene.

Molecular Properties

Compound Name[4-fluorobutoxy(diphenyl)methyl]benzene
PubChem CID135012512
Molecular FormulaC23H23FO
Molecular Weight334.43 g/mol
Exact Mass334.17
IUPAC Name[4-fluorobutoxy(diphenyl)methyl]benzene
SMILESFCCCCOC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H23FO/c24-18-10-11-19-25-23(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-9,12-17H,10-11,18-19H2
InChIKeyCCLHLEQUZDNYCP-UHFFFAOYSA-N
XLogP5.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.43
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-fluorobutoxy(diphenyl)methyl]benzene?
The IUPAC name of [4-fluorobutoxy(diphenyl)methyl]benzene (CID 135012512) is [4-fluorobutoxy(diphenyl)methyl]benzene.
What is the SMILES notation for [4-fluorobutoxy(diphenyl)methyl]benzene?
The canonical SMILES for [4-fluorobutoxy(diphenyl)methyl]benzene is FCCCCOC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [4-fluorobutoxy(diphenyl)methyl]benzene?
The InChIKey is CCLHLEQUZDNYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FO/c24-18-10-11-19-25-23(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-9,12-17H,10-11,18-19H2.
What are the key properties of [4-fluorobutoxy(diphenyl)methyl]benzene?
[4-fluorobutoxy(diphenyl)methyl]benzene has a molecular weight of 334.43 g/mol, XLogP of 5.74, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluorobutoxy(diphenyl)methyl]benzene is sourced from PubChem (CID 135012512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).