(2S)-2-(4-fluorophenyl)-2-methyl-3,3-diphenylpropan-1-ol

C22H21FO — CID 135054788

IUPAC(2S)-2-(4-fluorophenyl)-2-methyl-3,3-diphenylpropan-1-ol
SMILESC[C@@](CO)(c1ccc(F)cc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21FO/c1-22(16-24,19-12-14-20(23)15-13-19)21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15,21,24H,16H2,1H3/t22-/m1/s1
InChIKeyZTGBLIJUVCCVQX-JOCHJYFZSA-N
MW320.41 g/mol
LogP4.91
Rot. Bonds5

About (2S)-2-(4-fluorophenyl)-2-methyl-3,3-diphenylpropan-1-ol

(2S)-2-(4-fluorophenyl)-2-methyl-3,3-diphenylpropan-1-ol (PubChem CID 135054788) has the molecular formula C22H21FO and a molecular weight of 320.41 g/mol. Its IUPAC name is (2S)-2-(4-fluorophenyl)-2-methyl-3,3-diphenylpropan-1-ol.

Molecular Properties

Compound Name(2S)-2-(4-fluorophenyl)-2-methyl-3,3-diphenylpropan-1-ol
PubChem CID135054788
Molecular FormulaC22H21FO
Molecular Weight320.41 g/mol
Exact Mass320.16
IUPAC Name(2S)-2-(4-fluorophenyl)-2-methyl-3,3-diphenylpropan-1-ol
SMILESC[C@@](CO)(c1ccc(F)cc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21FO/c1-22(16-24,19-12-14-20(23)15-13-19)21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15,21,24H,16H2,1H3/t22-/m1/s1
InChIKeyZTGBLIJUVCCVQX-JOCHJYFZSA-N
XLogP4.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethyl-3,3-diphenylpropan-1-ol
CID 15315706
(1R,2S)-2-(4-fluorophenyl)-1-phenyl-1-pyridin-2-ylpropan-2-ol
CID 125488338
(1S,2R)-1-(4-fluorophenyl)-1,2-diphenylbutan-1-ol
CID 139051380
1-fluoro-4-[1-(4-fluorophenyl)-1-phenylethyl]benzene
CID 58537150
N-ethyl-2-(4-fluorophenyl)-2-methyl-1-phenylpropan-1-amine
CID 64769741
2-[2-(4-fluorophenyl)butan-2-yl]propanedioic acid
CID 139635434
1-fluoro-4-[(2R)-3-methyl-2-phenylbutan-2-yl]benzene
CID 143112976
2-(4-fluorophenyl)-4-phenylbutan-2-ol
CID 54919518
(1R,2R)-1-(4-fluorophenyl)-2-phenylpropan-1-ol
CID 134955278
3,3-difluoro-2-(4-fluorophenyl)-2-methylpropan-1-amine
CID 84721556
(2R)-2-(4-fluorophenyl)-N-[(1R)-2-hydroxy-1-phenylethyl]-2,5,5-trimethylhexanamide
CID 68873088
1-(4-fluorophenyl)sulfanyl-2-phenylpropan-2-ol
CID 55068428

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluorophenyl)-2-methyl-3,3-diphenylpropan-1-ol?
The IUPAC name of (2S)-2-(4-fluorophenyl)-2-methyl-3,3-diphenylpropan-1-ol (CID 135054788) is (2S)-2-(4-fluorophenyl)-2-methyl-3,3-diphenylpropan-1-ol.
What is the SMILES notation for (2S)-2-(4-fluorophenyl)-2-methyl-3,3-diphenylpropan-1-ol?
The canonical SMILES for (2S)-2-(4-fluorophenyl)-2-methyl-3,3-diphenylpropan-1-ol is C[C@@](CO)(c1ccc(F)cc1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-2-(4-fluorophenyl)-2-methyl-3,3-diphenylpropan-1-ol?
The InChIKey is ZTGBLIJUVCCVQX-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H21FO/c1-22(16-24,19-12-14-20(23)15-13-19)21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15,21,24H,16H2,1H3/t22-/m1/s1.
What are the key properties of (2S)-2-(4-fluorophenyl)-2-methyl-3,3-diphenylpropan-1-ol?
(2S)-2-(4-fluorophenyl)-2-methyl-3,3-diphenylpropan-1-ol has a molecular weight of 320.41 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluorophenyl)-2-methyl-3,3-diphenylpropan-1-ol is sourced from PubChem (CID 135054788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).