2,5-difluoro-4-[4-(4-octylphenyl)phenyl]phenol

C26H28F2O — CID 54446748

IUPAC2,5-difluoro-4-[4-(4-octylphenyl)phenyl]phenol
SMILESCCCCCCCCc1ccc(-c2ccc(-c3cc(F)c(O)cc3F)cc2)cc1
InChIInChI=1S/C26H28F2O/c1-2-3-4-5-6-7-8-19-9-11-20(12-10-19)21-13-15-22(16-14-21)23-17-25(28)26(29)18-24(23)27/h9-18,29H,2-8H2,1H3
InChIKeyWSAZEYZNSKTXGA-UHFFFAOYSA-N
MW394.51 g/mol
LogP7.91
Rot. Bonds9

About 2,5-difluoro-4-[4-(4-octylphenyl)phenyl]phenol

2,5-difluoro-4-[4-(4-octylphenyl)phenyl]phenol (PubChem CID 54446748) has the molecular formula C26H28F2O and a molecular weight of 394.51 g/mol. Its IUPAC name is 2,5-difluoro-4-[4-(4-octylphenyl)phenyl]phenol.

Molecular Properties

Compound Name2,5-difluoro-4-[4-(4-octylphenyl)phenyl]phenol
PubChem CID54446748
Molecular FormulaC26H28F2O
Molecular Weight394.51 g/mol
Exact Mass394.21
IUPAC Name2,5-difluoro-4-[4-(4-octylphenyl)phenyl]phenol
SMILESCCCCCCCCc1ccc(-c2ccc(-c3cc(F)c(O)cc3F)cc2)cc1
InChIInChI=1S/C26H28F2O/c1-2-3-4-5-6-7-8-19-9-11-20(12-10-19)21-13-15-22(16-14-21)23-17-25(28)26(29)18-24(23)27/h9-18,29H,2-8H2,1H3
InChIKeyWSAZEYZNSKTXGA-UHFFFAOYSA-N
XLogP7.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.51
LogP ≤ 57.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-butylphenyl)-2,5-difluoro-4-(4-propylphenyl)benzene
CID 71422219
2-fluoro-1-(4-heptylphenyl)-4-[2-(4-pentylphenyl)ethyl]benzene
CID 19906944
2,4-difluoro-1-(4-octylphenyl)benzene
CID 56633566
2,6-difluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenol
CID 139457352
2-fluoro-4-[3-fluoro-4-(4-pentylphenyl)phenyl]-1-(4-propylphenyl)benzene
CID 59547087
4-butyl-2-fluoro-1-[4-[2-(4-pentylphenyl)ethyl]phenyl]benzene
CID 19906913
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
2,3-difluoro-1-(2-fluoro-4-nonylphenyl)-4-(4-nonylphenyl)benzene
CID 10768709
5-[4-[7-[4-(3,5-difluoro-4-pentylphenyl)phenyl]heptyl]phenyl]-1,3-difluoro-2-pentylbenzene
CID 121343129
2-[2,6-difluoro-4-(4-pentylphenyl)phenyl]ethanol
CID 18552265
2,4-difluoro-1-[3-fluoro-4-(4-pentylphenyl)phenyl]benzene
CID 165362771
1,3-difluoro-5-(4-hexylphenyl)benzene
CID 130468309

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-4-[4-(4-octylphenyl)phenyl]phenol?
The IUPAC name of 2,5-difluoro-4-[4-(4-octylphenyl)phenyl]phenol (CID 54446748) is 2,5-difluoro-4-[4-(4-octylphenyl)phenyl]phenol.
What is the SMILES notation for 2,5-difluoro-4-[4-(4-octylphenyl)phenyl]phenol?
The canonical SMILES for 2,5-difluoro-4-[4-(4-octylphenyl)phenyl]phenol is CCCCCCCCc1ccc(-c2ccc(-c3cc(F)c(O)cc3F)cc2)cc1.
What is the InChIKey of 2,5-difluoro-4-[4-(4-octylphenyl)phenyl]phenol?
The InChIKey is WSAZEYZNSKTXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F2O/c1-2-3-4-5-6-7-8-19-9-11-20(12-10-19)21-13-15-22(16-14-21)23-17-25(28)26(29)18-24(23)27/h9-18,29H,2-8H2,1H3.
What are the key properties of 2,5-difluoro-4-[4-(4-octylphenyl)phenyl]phenol?
2,5-difluoro-4-[4-(4-octylphenyl)phenyl]phenol has a molecular weight of 394.51 g/mol, XLogP of 7.91, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-4-[4-(4-octylphenyl)phenyl]phenol is sourced from PubChem (CID 54446748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).