(1S,2R)-1-(4-fluorophenyl)-1,2-diphenylbutan-1-ol

C22H21FO — CID 139051380

IUPAC(1S,2R)-1-(4-fluorophenyl)-1,2-diphenylbutan-1-ol
SMILESCC[C@H](c1ccccc1)[C@](O)(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C22H21FO/c1-2-21(17-9-5-3-6-10-17)22(24,18-11-7-4-8-12-18)19-13-15-20(23)16-14-19/h3-16,21,24H,2H2,1H3/t21-,22+/m1/s1
InChIKeyPKWCGWGPYGPHOQ-YADHBBJMSA-N
MW320.41 g/mol
LogP5.26
Rot. Bonds5

About (1S,2R)-1-(4-fluorophenyl)-1,2-diphenylbutan-1-ol

(1S,2R)-1-(4-fluorophenyl)-1,2-diphenylbutan-1-ol (PubChem CID 139051380) has the molecular formula C22H21FO and a molecular weight of 320.41 g/mol. Its IUPAC name is (1S,2R)-1-(4-fluorophenyl)-1,2-diphenylbutan-1-ol.

Molecular Properties

Compound Name(1S,2R)-1-(4-fluorophenyl)-1,2-diphenylbutan-1-ol
PubChem CID139051380
Molecular FormulaC22H21FO
Molecular Weight320.41 g/mol
Exact Mass320.16
IUPAC Name(1S,2R)-1-(4-fluorophenyl)-1,2-diphenylbutan-1-ol
SMILESCC[C@H](c1ccccc1)[C@](O)(c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C22H21FO/c1-2-21(17-9-5-3-6-10-17)22(24,18-11-7-4-8-12-18)19-13-15-20(23)16-14-19/h3-16,21,24H,2H2,1H3/t21-,22+/m1/s1
InChIKeyPKWCGWGPYGPHOQ-YADHBBJMSA-N
XLogP5.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.41
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-(4-fluorophenyl)-1,2-diphenylbutan-1-ol?
The IUPAC name of (1S,2R)-1-(4-fluorophenyl)-1,2-diphenylbutan-1-ol (CID 139051380) is (1S,2R)-1-(4-fluorophenyl)-1,2-diphenylbutan-1-ol.
What is the SMILES notation for (1S,2R)-1-(4-fluorophenyl)-1,2-diphenylbutan-1-ol?
The canonical SMILES for (1S,2R)-1-(4-fluorophenyl)-1,2-diphenylbutan-1-ol is CC[C@H](c1ccccc1)[C@](O)(c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of (1S,2R)-1-(4-fluorophenyl)-1,2-diphenylbutan-1-ol?
The InChIKey is PKWCGWGPYGPHOQ-YADHBBJMSA-N. The full InChI is InChI=1S/C22H21FO/c1-2-21(17-9-5-3-6-10-17)22(24,18-11-7-4-8-12-18)19-13-15-20(23)16-14-19/h3-16,21,24H,2H2,1H3/t21-,22+/m1/s1.
What are the key properties of (1S,2R)-1-(4-fluorophenyl)-1,2-diphenylbutan-1-ol?
(1S,2R)-1-(4-fluorophenyl)-1,2-diphenylbutan-1-ol has a molecular weight of 320.41 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-(4-fluorophenyl)-1,2-diphenylbutan-1-ol is sourced from PubChem (CID 139051380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).