4-fluoro-2-[(5-fluoro-2-hydroxyphenyl)-bis(4-fluorophenyl)methyl]phenol

C25H16F4O2 — CID 139945833

IUPAC4-fluoro-2-[(5-fluoro-2-hydroxyphenyl)-bis(4-fluorophenyl)methyl]phenol
SMILESOc1ccc(F)cc1C(c1ccc(F)cc1)(c1ccc(F)cc1)c1cc(F)ccc1O
InChIInChI=1S/C25H16F4O2/c26-17-5-1-15(2-6-17)25(16-3-7-18(27)8-4-16,21-13-19(28)9-11-23(21)30)22-14-20(29)10-12-24(22)31/h1-14,30-31H
InChIKeyAJYZEFUAEVRXIL-UHFFFAOYSA-N
MW424.39 g/mol
LogP6.04
Rot. Bonds4

About 4-fluoro-2-[(5-fluoro-2-hydroxyphenyl)-bis(4-fluorophenyl)methyl]phenol

4-fluoro-2-[(5-fluoro-2-hydroxyphenyl)-bis(4-fluorophenyl)methyl]phenol (PubChem CID 139945833) has the molecular formula C25H16F4O2 and a molecular weight of 424.39 g/mol. Its IUPAC name is 4-fluoro-2-[(5-fluoro-2-hydroxyphenyl)-bis(4-fluorophenyl)methyl]phenol.

Molecular Properties

Compound Name4-fluoro-2-[(5-fluoro-2-hydroxyphenyl)-bis(4-fluorophenyl)methyl]phenol
PubChem CID139945833
Molecular FormulaC25H16F4O2
Molecular Weight424.39 g/mol
Exact Mass424.11
IUPAC Name4-fluoro-2-[(5-fluoro-2-hydroxyphenyl)-bis(4-fluorophenyl)methyl]phenol
SMILESOc1ccc(F)cc1C(c1ccc(F)cc1)(c1ccc(F)cc1)c1cc(F)ccc1O
InChIInChI=1S/C25H16F4O2/c26-17-5-1-15(2-6-17)25(16-3-7-18(27)8-4-16,21-13-19(28)9-11-23(21)30)22-14-20(29)10-12-24(22)31/h1-14,30-31H
InChIKeyAJYZEFUAEVRXIL-UHFFFAOYSA-N
XLogP6.04
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.39
LogP ≤ 56.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[bis(4-fluorophenyl)-hydroxymethyl]phenol
CID 53231393
2-[(2R)-2-aminobutan-2-yl]-4-fluorophenol
CID 130673936
4-fluoro-2-(2-methylpentan-2-yl)phenol
CID 87577772
4-[bis(4-aminophenyl)-(4-fluorophenyl)methyl]aniline;4-[(4-fluorophenyl)-bis(4-hydroxyphenyl)methyl]phenol
CID 161324923
1-(2,4-difluorophenyl)-1-(4-fluorophenyl)ethanol
CID 62802529
2-[1-(4-fluorophenyl)-1-hydroxybutyl]phenol
CID 155686228
4-fluoro-2-(1-hydroxyethyl)phenol
CID 53406163
4-tert-butyl-2-(trifluoromethyl)phenol
CID 12652102
4-fluoro-2-methylphenol;zirconium
CID 174391374
1-(4-fluoro-2-methylphenyl)-1-(4-fluorophenyl)ethanol
CID 55116263
4-[(3,4-dihydroxyphenyl)-diphenylmethyl]benzene-1,2-diol
CID 59253853
4-tert-butyl-2-fluorophenol
CID 11062790

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(5-fluoro-2-hydroxyphenyl)-bis(4-fluorophenyl)methyl]phenol?
The IUPAC name of 4-fluoro-2-[(5-fluoro-2-hydroxyphenyl)-bis(4-fluorophenyl)methyl]phenol (CID 139945833) is 4-fluoro-2-[(5-fluoro-2-hydroxyphenyl)-bis(4-fluorophenyl)methyl]phenol.
What is the SMILES notation for 4-fluoro-2-[(5-fluoro-2-hydroxyphenyl)-bis(4-fluorophenyl)methyl]phenol?
The canonical SMILES for 4-fluoro-2-[(5-fluoro-2-hydroxyphenyl)-bis(4-fluorophenyl)methyl]phenol is Oc1ccc(F)cc1C(c1ccc(F)cc1)(c1ccc(F)cc1)c1cc(F)ccc1O.
What is the InChIKey of 4-fluoro-2-[(5-fluoro-2-hydroxyphenyl)-bis(4-fluorophenyl)methyl]phenol?
The InChIKey is AJYZEFUAEVRXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16F4O2/c26-17-5-1-15(2-6-17)25(16-3-7-18(27)8-4-16,21-13-19(28)9-11-23(21)30)22-14-20(29)10-12-24(22)31/h1-14,30-31H.
What are the key properties of 4-fluoro-2-[(5-fluoro-2-hydroxyphenyl)-bis(4-fluorophenyl)methyl]phenol?
4-fluoro-2-[(5-fluoro-2-hydroxyphenyl)-bis(4-fluorophenyl)methyl]phenol has a molecular weight of 424.39 g/mol, XLogP of 6.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[(5-fluoro-2-hydroxyphenyl)-bis(4-fluorophenyl)methyl]phenol is sourced from PubChem (CID 139945833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).