[4-[bis(4-fluorophenyl)-hydroxymethyl]phenyl]-(4-fluorophenyl)methanone

C26H17F3O2 — CID 46196960

IUPAC[4-[bis(4-fluorophenyl)-hydroxymethyl]phenyl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)c1ccc(C(O)(c2ccc(F)cc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C26H17F3O2/c27-22-11-3-18(4-12-22)25(30)17-1-5-19(6-2-17)26(31,20-7-13-23(28)14-8-20)21-9-15-24(29)16-10-21/h1-16,31H
InChIKeyGVSNDJQPGKMHGQ-UHFFFAOYSA-N
MW418.41 g/mol
LogP5.62
Rot. Bonds5

About [4-[bis(4-fluorophenyl)-hydroxymethyl]phenyl]-(4-fluorophenyl)methanone

[4-[bis(4-fluorophenyl)-hydroxymethyl]phenyl]-(4-fluorophenyl)methanone (PubChem CID 46196960) has the molecular formula C26H17F3O2 and a molecular weight of 418.41 g/mol. Its IUPAC name is [4-[bis(4-fluorophenyl)-hydroxymethyl]phenyl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-[bis(4-fluorophenyl)-hydroxymethyl]phenyl]-(4-fluorophenyl)methanone
PubChem CID46196960
Molecular FormulaC26H17F3O2
Molecular Weight418.41 g/mol
Exact Mass418.12
IUPAC Name[4-[bis(4-fluorophenyl)-hydroxymethyl]phenyl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)c1ccc(C(O)(c2ccc(F)cc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C26H17F3O2/c27-22-11-3-18(4-12-22)25(30)17-1-5-19(6-2-17)26(31,20-7-13-23(28)14-8-20)21-9-15-24(29)16-10-21/h1-16,31H
InChIKeyGVSNDJQPGKMHGQ-UHFFFAOYSA-N
XLogP5.62
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.41
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Benzoic acid, 2-((1,1'-biphenyl)-4-ylcarbonyl)-
CID 39302
3',5'-Difluorobiphenyl-4-carboxylic acid
CID 5288193
4-(4-Fluorophenyl)benzoic acid
CID 2782689
Cd564
CID 2605
2',6'-Difluorobiphenyl-4-carboxylic acid
CID 5327159
1-(4-(2-Hydroxypropan-2-yl)phenyl)ethan-1-one
CID 41122
3'-Fluoro-biphenyl-4-carboxylic acid
CID 2782686
4-[4-(4-Carboxybenzoyl)benzoyl]benzoic acid
CID 220047
2-Hydroxy-1,2,3-triphenyl-1-propanone
CID 285844
3-Fluoro-4'-heptyl[1,1'-biphenyl]-4-carboxylic acid
CID 15952017
2-Fluoro-4'-octyl[1,1'-biphenyl]-4-carboxylic acid
CID 15952019
4-{2-[4-(Difluoro-phosphono-methyl)-benzyl]-3-oxo-2,3-diphenyl-propyl}-benzoic acid
CID 21265708

Frequently Asked Questions

What is the IUPAC name of [4-[bis(4-fluorophenyl)-hydroxymethyl]phenyl]-(4-fluorophenyl)methanone?
The IUPAC name of [4-[bis(4-fluorophenyl)-hydroxymethyl]phenyl]-(4-fluorophenyl)methanone (CID 46196960) is [4-[bis(4-fluorophenyl)-hydroxymethyl]phenyl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [4-[bis(4-fluorophenyl)-hydroxymethyl]phenyl]-(4-fluorophenyl)methanone?
The canonical SMILES for [4-[bis(4-fluorophenyl)-hydroxymethyl]phenyl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)c1ccc(C(O)(c2ccc(F)cc2)c2ccc(F)cc2)cc1.
What is the InChIKey of [4-[bis(4-fluorophenyl)-hydroxymethyl]phenyl]-(4-fluorophenyl)methanone?
The InChIKey is GVSNDJQPGKMHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17F3O2/c27-22-11-3-18(4-12-22)25(30)17-1-5-19(6-2-17)26(31,20-7-13-23(28)14-8-20)21-9-15-24(29)16-10-21/h1-16,31H.
What are the key properties of [4-[bis(4-fluorophenyl)-hydroxymethyl]phenyl]-(4-fluorophenyl)methanone?
[4-[bis(4-fluorophenyl)-hydroxymethyl]phenyl]-(4-fluorophenyl)methanone has a molecular weight of 418.41 g/mol, XLogP of 5.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[bis(4-fluorophenyl)-hydroxymethyl]phenyl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 46196960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).