5-[4-[4-(3,4,5-trifluorophenyl)phenyl]phenyl]pentan-1-ol

C23H21F3O — CID 90163478

IUPAC5-[4-[4-(3,4,5-trifluorophenyl)phenyl]phenyl]pentan-1-ol
SMILESOCCCCCc1ccc(-c2ccc(-c3cc(F)c(F)c(F)c3)cc2)cc1
InChIInChI=1S/C23H21F3O/c24-21-14-20(15-22(25)23(21)26)19-11-9-18(10-12-19)17-7-5-16(6-8-17)4-2-1-3-13-27/h5-12,14-15,27H,1-4,13H2
InChIKeyUGMWRNSKRATXPD-UHFFFAOYSA-N
MW370.41 g/mol
LogP6.14
Rot. Bonds7

About 5-[4-[4-(3,4,5-trifluorophenyl)phenyl]phenyl]pentan-1-ol

5-[4-[4-(3,4,5-trifluorophenyl)phenyl]phenyl]pentan-1-ol (PubChem CID 90163478) has the molecular formula C23H21F3O and a molecular weight of 370.41 g/mol. Its IUPAC name is 5-[4-[4-(3,4,5-trifluorophenyl)phenyl]phenyl]pentan-1-ol.

Molecular Properties

Compound Name5-[4-[4-(3,4,5-trifluorophenyl)phenyl]phenyl]pentan-1-ol
PubChem CID90163478
Molecular FormulaC23H21F3O
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name5-[4-[4-(3,4,5-trifluorophenyl)phenyl]phenyl]pentan-1-ol
SMILESOCCCCCc1ccc(-c2ccc(-c3cc(F)c(F)c(F)c3)cc2)cc1
InChIInChI=1S/C23H21F3O/c24-21-14-20(15-22(25)23(21)26)19-11-9-18(10-12-19)17-7-5-16(6-8-17)4-2-1-3-13-27/h5-12,14-15,27H,1-4,13H2
InChIKeyUGMWRNSKRATXPD-UHFFFAOYSA-N
XLogP6.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.41
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

6-(3,4,5-trifluorophenyl)hexan-1-ol
CID 174855228
[4-(3,4,5-trifluorophenyl)phenyl]methanol
CID 57062577
2-[2,6-difluoro-4-(4-pentylphenyl)phenyl]ethanol
CID 18552265
4-(4-phenylphenyl)butan-1-ol
CID 11970468
5-[4-[4-(4-butylphenyl)phenyl]phenyl]-1,2,3-trifluorobenzene;5-[4-[4-(4-ethylphenyl)phenyl]phenyl]-1,2,3-trifluorobenzene;1,2,3-trifluoro-5-[4-[4-(4-pentylphenyl)phenyl]phenyl]benzene;1,2,3-trifluoro-5-[4-[4-(4-propylphenyl)phenyl]phenyl]benzene
CID 157287017
4-[4-[9-[4-(4-cyano-3,5-difluorophenyl)phenyl]nonyl]phenyl]-2,6-difluorobenzonitrile
CID 134602760
1,2,3-trifluoro-5-[4-[4-(3,4,5-trifluorophenyl)phenyl]phenyl]benzene
CID 154500578
5-[4-[7-[4-(3,5-difluoro-4-pentylphenyl)phenyl]heptyl]phenyl]-1,3-difluoro-2-pentylbenzene
CID 121343129
1,3-difluoro-5-(4-propylphenyl)-2-(3,4,5-trifluorophenyl)benzene
CID 86196386
4-(12-hydroxydodecyl)phenol
CID 139809285
3-[4-(4-pentylphenyl)phenyl]propan-1-ol
CID 86125819
1-[4-[4-[4-(7-hydroxyheptyl)phenyl]phenyl]phenyl]-3-methylbut-3-en-2-one
CID 58687431

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(3,4,5-trifluorophenyl)phenyl]phenyl]pentan-1-ol?
The IUPAC name of 5-[4-[4-(3,4,5-trifluorophenyl)phenyl]phenyl]pentan-1-ol (CID 90163478) is 5-[4-[4-(3,4,5-trifluorophenyl)phenyl]phenyl]pentan-1-ol.
What is the SMILES notation for 5-[4-[4-(3,4,5-trifluorophenyl)phenyl]phenyl]pentan-1-ol?
The canonical SMILES for 5-[4-[4-(3,4,5-trifluorophenyl)phenyl]phenyl]pentan-1-ol is OCCCCCc1ccc(-c2ccc(-c3cc(F)c(F)c(F)c3)cc2)cc1.
What is the InChIKey of 5-[4-[4-(3,4,5-trifluorophenyl)phenyl]phenyl]pentan-1-ol?
The InChIKey is UGMWRNSKRATXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3O/c24-21-14-20(15-22(25)23(21)26)19-11-9-18(10-12-19)17-7-5-16(6-8-17)4-2-1-3-13-27/h5-12,14-15,27H,1-4,13H2.
What are the key properties of 5-[4-[4-(3,4,5-trifluorophenyl)phenyl]phenyl]pentan-1-ol?
5-[4-[4-(3,4,5-trifluorophenyl)phenyl]phenyl]pentan-1-ol has a molecular weight of 370.41 g/mol, XLogP of 6.14, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(3,4,5-trifluorophenyl)phenyl]phenyl]pentan-1-ol is sourced from PubChem (CID 90163478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).