2-(4-tert-butylphenyl)-1-(6-methoxy-2-pyridinyl)ethanol

C18H23NO2 — CID 103348150

IUPAC2-(4-tert-butylphenyl)-1-(6-methoxy-2-pyridinyl)ethanol
SMILESCOc1cccc(C(O)Cc2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C18H23NO2/c1-18(2,3)14-10-8-13(9-11-14)12-16(20)15-6-5-7-17(19-15)21-4/h5-11,16,20H,12H2,1-4H3
InChIKeyXGBRVHBUMVVMIJ-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.66
Rot. Bonds4

About 2-(4-tert-butylphenyl)-1-(6-methoxy-2-pyridinyl)ethanol

2-(4-tert-butylphenyl)-1-(6-methoxy-2-pyridinyl)ethanol (PubChem CID 103348150) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-1-(6-methoxy-2-pyridinyl)ethanol.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-1-(6-methoxy-2-pyridinyl)ethanol
PubChem CID103348150
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2-(4-tert-butylphenyl)-1-(6-methoxy-2-pyridinyl)ethanol
SMILESCOc1cccc(C(O)Cc2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C18H23NO2/c1-18(2,3)14-10-8-13(9-11-14)12-16(20)15-6-5-7-17(19-15)21-4/h5-11,16,20H,12H2,1-4H3
InChIKeyXGBRVHBUMVVMIJ-UHFFFAOYSA-N
XLogP3.66
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dichlorophenyl)-1-(6-methoxy-2-pyridinyl)ethanol
CID 103347951
1-(6-methoxy-2-pyridinyl)propan-1-ol
CID 103348126
4-methoxy-1-(6-methoxy-2-pyridinyl)-4-methylpentan-1-ol
CID 103348199
1-(6-methoxy-2-pyridinyl)-2,2-dimethylpropan-1-ol
CID 10679382
2-(2-fluorophenyl)-1-(6-methoxy-2-pyridinyl)ethanol
CID 103347996
2-(2-amino-4-pyridinyl)-1-(6-methoxy-2-pyridinyl)ethanol
CID 103347981
2-amino-1-(6-methoxy-2-pyridinyl)-3-phenylpropan-1-ol
CID 103347781
2-(aminomethyl)-1-(6-methoxy-2-pyridinyl)-2-methylbutan-1-ol
CID 103348729
1-(6-methyl-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 63555423
1-(6-methoxy-2-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanol
CID 103348045
3-(6-methoxy-2-pyridinyl)butan-2-ol
CID 63588761
3-amino-1-(6-methoxy-2-pyridinyl)propane-1,2-diol
CID 170827832

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-1-(6-methoxy-2-pyridinyl)ethanol?
The IUPAC name of 2-(4-tert-butylphenyl)-1-(6-methoxy-2-pyridinyl)ethanol (CID 103348150) is 2-(4-tert-butylphenyl)-1-(6-methoxy-2-pyridinyl)ethanol.
What is the SMILES notation for 2-(4-tert-butylphenyl)-1-(6-methoxy-2-pyridinyl)ethanol?
The canonical SMILES for 2-(4-tert-butylphenyl)-1-(6-methoxy-2-pyridinyl)ethanol is COc1cccc(C(O)Cc2ccc(C(C)(C)C)cc2)n1.
What is the InChIKey of 2-(4-tert-butylphenyl)-1-(6-methoxy-2-pyridinyl)ethanol?
The InChIKey is XGBRVHBUMVVMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-18(2,3)14-10-8-13(9-11-14)12-16(20)15-6-5-7-17(19-15)21-4/h5-11,16,20H,12H2,1-4H3.
What are the key properties of 2-(4-tert-butylphenyl)-1-(6-methoxy-2-pyridinyl)ethanol?
2-(4-tert-butylphenyl)-1-(6-methoxy-2-pyridinyl)ethanol has a molecular weight of 285.39 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-1-(6-methoxy-2-pyridinyl)ethanol is sourced from PubChem (CID 103348150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).