1-(4-tert-butylphenyl)-2-pyridin-3-ylpropan-2-ol

C18H23NO — CID 13120935

IUPAC1-(4-tert-butylphenyl)-2-pyridin-3-ylpropan-2-ol
SMILESCC(C)(C)c1ccc(CC(C)(O)c2cccnc2)cc1
InChIInChI=1S/C18H23NO/c1-17(2,3)15-9-7-14(8-10-15)12-18(4,20)16-6-5-11-19-13-16/h5-11,13,20H,12H2,1-4H3
InChIKeyGVRKTPXSUXTNBM-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.83
Rot. Bonds3

About 1-(4-tert-butylphenyl)-2-pyridin-3-ylpropan-2-ol

1-(4-tert-butylphenyl)-2-pyridin-3-ylpropan-2-ol (PubChem CID 13120935) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-2-pyridin-3-ylpropan-2-ol.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-2-pyridin-3-ylpropan-2-ol
PubChem CID13120935
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name1-(4-tert-butylphenyl)-2-pyridin-3-ylpropan-2-ol
SMILESCC(C)(C)c1ccc(CC(C)(O)c2cccnc2)cc1
InChIInChI=1S/C18H23NO/c1-17(2,3)15-9-7-14(8-10-15)12-18(4,20)16-6-5-11-19-13-16/h5-11,13,20H,12H2,1-4H3
InChIKeyGVRKTPXSUXTNBM-UHFFFAOYSA-N
XLogP3.83
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-fluoro-2-pyridin-3-ylpropan-2-ol
CID 89407695
2-(3-methylphenyl)-1-pyridin-3-ylpropan-2-ol
CID 104735632
3-hydroxy-3-pyridin-3-ylbutanenitrile
CID 165356102
1-(4-tert-butylphenyl)-2-(4-fluorophenyl)propan-2-ol
CID 65144980
2,4-dimethyl-4-pyridin-3-ylpentan-2-ol
CID 145044151
1-(5-fluoro-2-methylphenyl)-2-pyridin-3-ylpropan-2-ol
CID 114080751
2-pyridin-3-ylhex-5-en-2-ol
CID 15642446
1-(4-tert-butylphenyl)-3-pyridin-3-ylpropan-2-one
CID 62621034
(2S)-2-phenyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 146163800
1,1,2-tripyridin-3-ylethanol
CID 57425683
1-(4-tert-butylphenyl)propane-2,2-diol
CID 175500089
tripyridin-3-ylmethanol
CID 177395677

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-2-pyridin-3-ylpropan-2-ol?
The IUPAC name of 1-(4-tert-butylphenyl)-2-pyridin-3-ylpropan-2-ol (CID 13120935) is 1-(4-tert-butylphenyl)-2-pyridin-3-ylpropan-2-ol.
What is the SMILES notation for 1-(4-tert-butylphenyl)-2-pyridin-3-ylpropan-2-ol?
The canonical SMILES for 1-(4-tert-butylphenyl)-2-pyridin-3-ylpropan-2-ol is CC(C)(C)c1ccc(CC(C)(O)c2cccnc2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-2-pyridin-3-ylpropan-2-ol?
The InChIKey is GVRKTPXSUXTNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-17(2,3)15-9-7-14(8-10-15)12-18(4,20)16-6-5-11-19-13-16/h5-11,13,20H,12H2,1-4H3.
What are the key properties of 1-(4-tert-butylphenyl)-2-pyridin-3-ylpropan-2-ol?
1-(4-tert-butylphenyl)-2-pyridin-3-ylpropan-2-ol has a molecular weight of 269.39 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-2-pyridin-3-ylpropan-2-ol is sourced from PubChem (CID 13120935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).