1-[4-(4-fluorophenyl)phenyl]-3-methyl-2-pyridin-3-ylbutan-2-ol

C22H22FNO — CID 46854274

IUPAC1-[4-(4-fluorophenyl)phenyl]-3-methyl-2-pyridin-3-ylbutan-2-ol
SMILESCC(C)C(O)(Cc1ccc(-c2ccc(F)cc2)cc1)c1cccnc1
InChIInChI=1S/C22H22FNO/c1-16(2)22(25,20-4-3-13-24-15-20)14-17-5-7-18(8-6-17)19-9-11-21(23)12-10-19/h3-13,15-16,25H,14H2,1-2H3
InChIKeyOIIIZGHXCGODNA-UHFFFAOYSA-N
MW335.42 g/mol
LogP4.97
Rot. Bonds5

About 1-[4-(4-fluorophenyl)phenyl]-3-methyl-2-pyridin-3-ylbutan-2-ol

1-[4-(4-fluorophenyl)phenyl]-3-methyl-2-pyridin-3-ylbutan-2-ol (PubChem CID 46854274) has the molecular formula C22H22FNO and a molecular weight of 335.42 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)phenyl]-3-methyl-2-pyridin-3-ylbutan-2-ol.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)phenyl]-3-methyl-2-pyridin-3-ylbutan-2-ol
PubChem CID46854274
Molecular FormulaC22H22FNO
Molecular Weight335.42 g/mol
Exact Mass335.17
IUPAC Name1-[4-(4-fluorophenyl)phenyl]-3-methyl-2-pyridin-3-ylbutan-2-ol
SMILESCC(C)C(O)(Cc1ccc(-c2ccc(F)cc2)cc1)c1cccnc1
InChIInChI=1S/C22H22FNO/c1-16(2)22(25,20-4-3-13-24-15-20)14-17-5-7-18(8-6-17)19-9-11-21(23)12-10-19/h3-13,15-16,25H,14H2,1-2H3
InChIKeyOIIIZGHXCGODNA-UHFFFAOYSA-N
XLogP4.97
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-pyridin-3-ylpentan-3-ol
CID 60924070
1-(4-tert-butylphenyl)-2-pyridin-3-ylpropan-2-ol
CID 13120935
1,1-bis(4-fluorophenyl)-2-pyridin-3-ylethanol
CID 23036417
3-methyl-2-pyridin-3-ylbutan-2-ol
CID 58641587
3-methyl-2-phenyl-1-[4-(2-phenylethyl)phenyl]butan-2-ol
CID 57245226
1-(4-fluorophenyl)-2,3-dimethylbutan-2-ol
CID 58481762
3-[1-(4-fluorophenyl)-1,2-dipyridin-3-ylethyl]pyridine
CID 67011551
N-[(2S)-1-[[1-(4-fluorophenyl)-2-methylpropan-2-yl]amino]-1-oxopropan-2-yl]-4-pyridin-3-ylbenzamide
CID 126627278
2,8-dimethyl-5-pyridin-3-ylnonan-5-ol
CID 21420922
1-(4-fluorophenyl)-2-phenylpropan-2-ol
CID 53329553
1-(5-fluoro-2-methylphenyl)-2-pyridin-3-ylpropan-2-ol
CID 114080751
N-[3-(4-fluorophenyl)propyl]-1-(4-pyridin-3-ylphenyl)propan-2-amine
CID 155119456

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)phenyl]-3-methyl-2-pyridin-3-ylbutan-2-ol?
The IUPAC name of 1-[4-(4-fluorophenyl)phenyl]-3-methyl-2-pyridin-3-ylbutan-2-ol (CID 46854274) is 1-[4-(4-fluorophenyl)phenyl]-3-methyl-2-pyridin-3-ylbutan-2-ol.
What is the SMILES notation for 1-[4-(4-fluorophenyl)phenyl]-3-methyl-2-pyridin-3-ylbutan-2-ol?
The canonical SMILES for 1-[4-(4-fluorophenyl)phenyl]-3-methyl-2-pyridin-3-ylbutan-2-ol is CC(C)C(O)(Cc1ccc(-c2ccc(F)cc2)cc1)c1cccnc1.
What is the InChIKey of 1-[4-(4-fluorophenyl)phenyl]-3-methyl-2-pyridin-3-ylbutan-2-ol?
The InChIKey is OIIIZGHXCGODNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FNO/c1-16(2)22(25,20-4-3-13-24-15-20)14-17-5-7-18(8-6-17)19-9-11-21(23)12-10-19/h3-13,15-16,25H,14H2,1-2H3.
What are the key properties of 1-[4-(4-fluorophenyl)phenyl]-3-methyl-2-pyridin-3-ylbutan-2-ol?
1-[4-(4-fluorophenyl)phenyl]-3-methyl-2-pyridin-3-ylbutan-2-ol has a molecular weight of 335.42 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)phenyl]-3-methyl-2-pyridin-3-ylbutan-2-ol is sourced from PubChem (CID 46854274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).