4-[diphenyl(trifluoromethylsulfonyl)methyl]phenol

C20H15F3O3S — CID 59360503

IUPAC4-[diphenyl(trifluoromethylsulfonyl)methyl]phenol
SMILESO=S(=O)(C(F)(F)F)C(c1ccccc1)(c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C20H15F3O3S/c21-20(22,23)27(25,26)19(15-7-3-1-4-8-15,16-9-5-2-6-10-16)17-11-13-18(24)14-12-17/h1-14,24H
InChIKeyBDYGBUOBJZWSIK-UHFFFAOYSA-N
MW392.40 g/mol
LogP4.62
Rot. Bonds4

About 4-[diphenyl(trifluoromethylsulfonyl)methyl]phenol

4-[diphenyl(trifluoromethylsulfonyl)methyl]phenol (PubChem CID 59360503) has the molecular formula C20H15F3O3S and a molecular weight of 392.40 g/mol. Its IUPAC name is 4-[diphenyl(trifluoromethylsulfonyl)methyl]phenol.

Molecular Properties

Compound Name4-[diphenyl(trifluoromethylsulfonyl)methyl]phenol
PubChem CID59360503
Molecular FormulaC20H15F3O3S
Molecular Weight392.40 g/mol
Exact Mass392.07
IUPAC Name4-[diphenyl(trifluoromethylsulfonyl)methyl]phenol
SMILESO=S(=O)(C(F)(F)F)C(c1ccccc1)(c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C20H15F3O3S/c21-20(22,23)27(25,26)19(15-7-3-1-4-8-15,16-9-5-2-6-10-16)17-11-13-18(24)14-12-17/h1-14,24H
InChIKeyBDYGBUOBJZWSIK-UHFFFAOYSA-N
XLogP4.62
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.40
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[diphenyl(trifluoromethylsulfonyl)methyl]phenol?
The IUPAC name of 4-[diphenyl(trifluoromethylsulfonyl)methyl]phenol (CID 59360503) is 4-[diphenyl(trifluoromethylsulfonyl)methyl]phenol.
What is the SMILES notation for 4-[diphenyl(trifluoromethylsulfonyl)methyl]phenol?
The canonical SMILES for 4-[diphenyl(trifluoromethylsulfonyl)methyl]phenol is O=S(=O)(C(F)(F)F)C(c1ccccc1)(c1ccccc1)c1ccc(O)cc1.
What is the InChIKey of 4-[diphenyl(trifluoromethylsulfonyl)methyl]phenol?
The InChIKey is BDYGBUOBJZWSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3O3S/c21-20(22,23)27(25,26)19(15-7-3-1-4-8-15,16-9-5-2-6-10-16)17-11-13-18(24)14-12-17/h1-14,24H.
What are the key properties of 4-[diphenyl(trifluoromethylsulfonyl)methyl]phenol?
4-[diphenyl(trifluoromethylsulfonyl)methyl]phenol has a molecular weight of 392.40 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[diphenyl(trifluoromethylsulfonyl)methyl]phenol is sourced from PubChem (CID 59360503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).