(1R,2R)-1-(4-chlorophenyl)-2-(4-fluorophenyl)-1-phenylbutan-1-ol

C22H20ClFO — CID 139051344

IUPAC(1R,2R)-1-(4-chlorophenyl)-2-(4-fluorophenyl)-1-phenylbutan-1-ol
SMILESCC[C@H](c1ccc(F)cc1)[C@@](O)(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C22H20ClFO/c1-2-21(16-8-14-20(24)15-9-16)22(25,17-6-4-3-5-7-17)18-10-12-19(23)13-11-18/h3-15,21,25H,2H2,1H3/t21-,22-/m1/s1
InChIKeyGZRNPWZHWPHCFD-FGZHOGPDSA-N
MW354.85 g/mol
LogP5.91
Rot. Bonds5

About (1R,2R)-1-(4-chlorophenyl)-2-(4-fluorophenyl)-1-phenylbutan-1-ol

(1R,2R)-1-(4-chlorophenyl)-2-(4-fluorophenyl)-1-phenylbutan-1-ol (PubChem CID 139051344) has the molecular formula C22H20ClFO and a molecular weight of 354.85 g/mol. Its IUPAC name is (1R,2R)-1-(4-chlorophenyl)-2-(4-fluorophenyl)-1-phenylbutan-1-ol.

Molecular Properties

Compound Name(1R,2R)-1-(4-chlorophenyl)-2-(4-fluorophenyl)-1-phenylbutan-1-ol
PubChem CID139051344
Molecular FormulaC22H20ClFO
Molecular Weight354.85 g/mol
Exact Mass354.12
IUPAC Name(1R,2R)-1-(4-chlorophenyl)-2-(4-fluorophenyl)-1-phenylbutan-1-ol
SMILESCC[C@H](c1ccc(F)cc1)[C@@](O)(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C22H20ClFO/c1-2-21(16-8-14-20(24)15-9-16)22(25,17-6-4-3-5-7-17)18-10-12-19(23)13-11-18/h3-15,21,25H,2H2,1H3/t21-,22-/m1/s1
InChIKeyGZRNPWZHWPHCFD-FGZHOGPDSA-N
XLogP5.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.85
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Dicofol
CID 8268
1,1-Bis(4-chlorophenyl)ethanol
CID 6624
Phenaglycodol
CID 6617
Fenpentadiol
CID 85896
Tris(4-chlorophenyl)methanol
CID 76379
Proclonol
CID 26450
(2-Chlorophenyl)diphenylmethanol
CID 298659
Etoxinol
CID 22342
4-Chloro-alpha-(4-chlorophenyl)-alpha-(trifluoromethyl)benzenemethanol
CID 96881
1-(4-Chlorophenyl)-1-phenylethanol
CID 14189996
(4-Chlorophenyl)diphenylmethanol
CID 228120
4-Chloro-alpha-cyclopropyl-alpha-methylbenzenemethanol
CID 23463

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-(4-chlorophenyl)-2-(4-fluorophenyl)-1-phenylbutan-1-ol?
The IUPAC name of (1R,2R)-1-(4-chlorophenyl)-2-(4-fluorophenyl)-1-phenylbutan-1-ol (CID 139051344) is (1R,2R)-1-(4-chlorophenyl)-2-(4-fluorophenyl)-1-phenylbutan-1-ol.
What is the SMILES notation for (1R,2R)-1-(4-chlorophenyl)-2-(4-fluorophenyl)-1-phenylbutan-1-ol?
The canonical SMILES for (1R,2R)-1-(4-chlorophenyl)-2-(4-fluorophenyl)-1-phenylbutan-1-ol is CC[C@H](c1ccc(F)cc1)[C@@](O)(c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of (1R,2R)-1-(4-chlorophenyl)-2-(4-fluorophenyl)-1-phenylbutan-1-ol?
The InChIKey is GZRNPWZHWPHCFD-FGZHOGPDSA-N. The full InChI is InChI=1S/C22H20ClFO/c1-2-21(16-8-14-20(24)15-9-16)22(25,17-6-4-3-5-7-17)18-10-12-19(23)13-11-18/h3-15,21,25H,2H2,1H3/t21-,22-/m1/s1.
What are the key properties of (1R,2R)-1-(4-chlorophenyl)-2-(4-fluorophenyl)-1-phenylbutan-1-ol?
(1R,2R)-1-(4-chlorophenyl)-2-(4-fluorophenyl)-1-phenylbutan-1-ol has a molecular weight of 354.85 g/mol, XLogP of 5.91, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-(4-chlorophenyl)-2-(4-fluorophenyl)-1-phenylbutan-1-ol is sourced from PubChem (CID 139051344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).