(4-tert-butylphenyl)-(3-methoxy-4-pyridinyl)methanol

C17H21NO2 — CID 105066253

IUPAC(4-tert-butylphenyl)-(3-methoxy-4-pyridinyl)methanol
SMILESCOc1cnccc1C(O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H21NO2/c1-17(2,3)13-7-5-12(6-8-13)16(19)14-9-10-18-11-15(14)20-4/h5-11,16,19H,1-4H3
InChIKeyXWPXYAKLPJDITN-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.47
Rot. Bonds3

About (4-tert-butylphenyl)-(3-methoxy-4-pyridinyl)methanol

(4-tert-butylphenyl)-(3-methoxy-4-pyridinyl)methanol (PubChem CID 105066253) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is (4-tert-butylphenyl)-(3-methoxy-4-pyridinyl)methanol.

Molecular Properties

Compound Name(4-tert-butylphenyl)-(3-methoxy-4-pyridinyl)methanol
PubChem CID105066253
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name(4-tert-butylphenyl)-(3-methoxy-4-pyridinyl)methanol
SMILESCOc1cnccc1C(O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H21NO2/c1-17(2,3)13-7-5-12(6-8-13)16(19)14-9-10-18-11-15(14)20-4/h5-11,16,19H,1-4H3
InChIKeyXWPXYAKLPJDITN-UHFFFAOYSA-N
XLogP3.47
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dimethoxyphenyl)-(3-methoxy-4-pyridinyl)methanol
CID 105066374
[3-fluoro-4-(trifluoromethyl)phenyl]-(3-methoxy-4-pyridinyl)methanol
CID 107292052
(5-fluoro-3-pyridinyl)-(3-methoxy-4-pyridinyl)methanol
CID 105066191
(3-methoxy-4-pyridinyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 105066282
(3-methoxy-4-pyridinyl)-(2-methylquinolin-6-yl)methanol
CID 105066395
(3-methoxy-2-pyridinyl)-(3-methoxy-4-pyridinyl)methanol
CID 114054869
(3-methoxy-4-pyridinyl)-(5-methylthiophen-2-yl)methanol
CID 105066346
isoquinolin-8-yl-(3-methoxy-4-pyridinyl)methanol
CID 103139118
(3-methoxy-4-pyridinyl)-quinolin-5-ylmethanol
CID 105066393
(4-chloro-1-methylpyrazol-5-yl)-(3-methoxy-4-pyridinyl)methanol
CID 105066457
1-(3-methoxy-4-pyridinyl)pentan-1-ol
CID 105066220
(4-tert-butylphenyl)-(4-methoxy-3-methylphenyl)methanol
CID 61080698

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-(3-methoxy-4-pyridinyl)methanol?
The IUPAC name of (4-tert-butylphenyl)-(3-methoxy-4-pyridinyl)methanol (CID 105066253) is (4-tert-butylphenyl)-(3-methoxy-4-pyridinyl)methanol.
What is the SMILES notation for (4-tert-butylphenyl)-(3-methoxy-4-pyridinyl)methanol?
The canonical SMILES for (4-tert-butylphenyl)-(3-methoxy-4-pyridinyl)methanol is COc1cnccc1C(O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of (4-tert-butylphenyl)-(3-methoxy-4-pyridinyl)methanol?
The InChIKey is XWPXYAKLPJDITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-17(2,3)13-7-5-12(6-8-13)16(19)14-9-10-18-11-15(14)20-4/h5-11,16,19H,1-4H3.
What are the key properties of (4-tert-butylphenyl)-(3-methoxy-4-pyridinyl)methanol?
(4-tert-butylphenyl)-(3-methoxy-4-pyridinyl)methanol has a molecular weight of 271.36 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-(3-methoxy-4-pyridinyl)methanol is sourced from PubChem (CID 105066253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).