2,6-difluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenol

C23H21F3O — CID 139457352

IUPAC2,6-difluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenol
SMILESCCCCCc1ccc(-c2ccc(-c3cc(F)c(O)c(F)c3)c(F)c2)cc1
InChIInChI=1S/C23H21F3O/c1-2-3-4-5-15-6-8-16(9-7-15)17-10-11-19(20(24)12-17)18-13-21(25)23(27)22(26)14-18/h6-14,27H,2-5H2,1H3
InChIKeyOXSBAEYXTBNIIU-UHFFFAOYSA-N
MW370.41 g/mol
LogP6.88
Rot. Bonds6

About 2,6-difluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenol

2,6-difluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenol (PubChem CID 139457352) has the molecular formula C23H21F3O and a molecular weight of 370.41 g/mol. Its IUPAC name is 2,6-difluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenol.

Molecular Properties

Compound Name2,6-difluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenol
PubChem CID139457352
Molecular FormulaC23H21F3O
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name2,6-difluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenol
SMILESCCCCCc1ccc(-c2ccc(-c3cc(F)c(O)c(F)c3)c(F)c2)cc1
InChIInChI=1S/C23H21F3O/c1-2-3-4-5-15-6-8-16(9-7-15)17-10-11-19(20(24)12-17)18-13-21(25)23(27)22(26)14-18/h6-14,27H,2-5H2,1H3
InChIKeyOXSBAEYXTBNIIU-UHFFFAOYSA-N
XLogP6.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.41
LogP ≤ 56.88
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

2-fluoro-4-[3-fluoro-4-(4-pentylphenyl)phenyl]-1-(4-propylphenyl)benzene
CID 59547087
2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]aniline
CID 142281352
1,4-bis(4-butylphenyl)-2-fluorobenzene;1-(4-butylphenyl)-2-fluoro-4-(4-pentylphenyl)benzene;4-(4-butylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene;1-(4-ethylphenyl)-2-fluoro-4-(4-pentylphenyl)benzene;2-fluoro-1,4-bis(4-pentylphenyl)benzene;2-fluoro-4-(4-pentylphenyl)-1-(4-propylphenyl)benzene
CID 167612803
5-[4-[4-(4-butylphenyl)-2-fluorophenyl]-2-fluorophenyl]-1,2,3-trifluorobenzene;5-[4-[4-(4-ethylphenyl)-2-fluorophenyl]-2-fluorophenyl]-1,2,3-trifluorobenzene;1,2,3-trifluoro-5-[2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]benzene;1,2,3-trifluoro-5-[2-fluoro-4-[2-fluoro-4-(4-propylphenyl)phenyl]phenyl]benzene
CID 159306638
2,4-difluoro-1-[3-fluoro-4-(4-pentylphenyl)phenyl]benzene
CID 165362771
4-butyl-2-fluoro-1-[4-[2-(4-pentylphenyl)ethyl]phenyl]benzene
CID 19906913
2-fluoro-1-(4-heptylphenyl)-4-[2-(4-pentylphenyl)ethyl]benzene
CID 19906944
N-[[4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]methyl]butan-1-amine
CID 162060270
2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]benzonitrile
CID 90209321
1,4-bis(4-butylphenyl)-2-fluorobenzene;4-(4-butylphenyl)-1-(4-ethylphenyl)-2-fluorobenzene;4-(4-butylphenyl)-2-fluoro-1-(4-methylphenyl)benzene;1-(4-butylphenyl)-2-fluoro-4-(4-pentylphenyl)benzene;4-(4-butylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene;1-(4-butylphenyl)-2-fluoro-4-(4-propylphenyl)benzene;4-(4-butylphenyl)-2-fluoro-1-(4-propylphenyl)benzene;1-(4-ethylphenyl)-2-fluoro-4-(4-pentylphenyl)benzene;2-fluoro-1,4-bis(4-propylphenyl)benzene;2-fluoro-1-(4-methylphenyl)-4-(4-pentylphenyl)benzene;2-fluoro-1-(4-pentylphenyl)-4-(4-propylphenyl)benzene;2-fluoro-4-(4-pentylphenyl)-1-(4-propylphenyl)benzene
CID 159443405
1-(4-butylphenyl)-4-(4-ethylphenyl)-2,3-difluorobenzene;1-(4-butylphenyl)-4-(4-ethylphenyl)-2-fluorobenzene;1-(4-ethylphenyl)-2,3-difluoro-4-(4-propylphenyl)benzene;4-(4-ethylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene;4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene
CID 165099168
1-(4-butylphenyl)-4-(4-ethylphenyl)-2-fluorobenzene;4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene
CID 161123973

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenol?
The IUPAC name of 2,6-difluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenol (CID 139457352) is 2,6-difluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenol.
What is the SMILES notation for 2,6-difluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenol?
The canonical SMILES for 2,6-difluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenol is CCCCCc1ccc(-c2ccc(-c3cc(F)c(O)c(F)c3)c(F)c2)cc1.
What is the InChIKey of 2,6-difluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenol?
The InChIKey is OXSBAEYXTBNIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3O/c1-2-3-4-5-15-6-8-16(9-7-15)17-10-11-19(20(24)12-17)18-13-21(25)23(27)22(26)14-18/h6-14,27H,2-5H2,1H3.
What are the key properties of 2,6-difluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenol?
2,6-difluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenol has a molecular weight of 370.41 g/mol, XLogP of 6.88, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenol is sourced from PubChem (CID 139457352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).