1-(4,6-dimethyl-5-phenylmethoxy-3-pyridinyl)ethanol

C16H19NO2 — CID 15619962

IUPAC1-(4,6-dimethyl-5-phenylmethoxy-3-pyridinyl)ethanol
SMILESCc1ncc(C(C)O)c(C)c1OCc1ccccc1
InChIInChI=1S/C16H19NO2/c1-11-15(13(3)18)9-17-12(2)16(11)19-10-14-7-5-4-6-8-14/h4-9,13,18H,10H2,1-3H3
InChIKeyMBHTYRJADYBWJF-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.33
Rot. Bonds4

About 1-(4,6-dimethyl-5-phenylmethoxy-3-pyridinyl)ethanol

1-(4,6-dimethyl-5-phenylmethoxy-3-pyridinyl)ethanol (PubChem CID 15619962) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 1-(4,6-dimethyl-5-phenylmethoxy-3-pyridinyl)ethanol.

Molecular Properties

Compound Name1-(4,6-dimethyl-5-phenylmethoxy-3-pyridinyl)ethanol
PubChem CID15619962
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name1-(4,6-dimethyl-5-phenylmethoxy-3-pyridinyl)ethanol
SMILESCc1ncc(C(C)O)c(C)c1OCc1ccccc1
InChIInChI=1S/C16H19NO2/c1-11-15(13(3)18)9-17-12(2)16(11)19-10-14-7-5-4-6-8-14/h4-9,13,18H,10H2,1-3H3
InChIKeyMBHTYRJADYBWJF-UHFFFAOYSA-N
XLogP3.33
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methyl-6-phenylmethoxy-3-pyridinyl)ethanol
CID 102545457
1-(2-phenylmethoxy-3-propan-2-ylphenyl)ethanol
CID 170547313
[(2,5-dimethyl-3-phenylmethoxy-4-pyridinyl)-hydroxymethyl]phosphonic acid
CID 10426329
[4-(hydroxymethyl)-6-methyl-5-phenylmethoxy-3-pyridinyl]methanol
CID 820399
5-bromo-4-methoxy-2-methyl-3-phenylmethoxypyridine
CID 52987753
2,4,5-trimethyl-3-phenylmethoxypyridine;N-(3,4,6-trimethyl-5-phenylmethoxy-2-pyridinyl)acetamide
CID 162144385
1-[1-methyl-3,4-bis(phenylmethoxy)pyridin-1-ium-2-yl]ethanol
CID 23245665
(1R)-1-(5-bromo-2-phenylmethoxyphenyl)ethanol
CID 78932268
(3-methyl-2-phenylmethoxyphenyl)-phenylmethanol
CID 171366218
(1S)-1-(2-bromo-5-phenylmethoxyphenyl)ethanol
CID 171991585
1-(2-chloro-5-phenylmethoxyphenyl)ethanol
CID 83988712
2-bromo-3,5,6-trimethyl-4-phenylmethoxypyridine
CID 169250451

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethyl-5-phenylmethoxy-3-pyridinyl)ethanol?
The IUPAC name of 1-(4,6-dimethyl-5-phenylmethoxy-3-pyridinyl)ethanol (CID 15619962) is 1-(4,6-dimethyl-5-phenylmethoxy-3-pyridinyl)ethanol.
What is the SMILES notation for 1-(4,6-dimethyl-5-phenylmethoxy-3-pyridinyl)ethanol?
The canonical SMILES for 1-(4,6-dimethyl-5-phenylmethoxy-3-pyridinyl)ethanol is Cc1ncc(C(C)O)c(C)c1OCc1ccccc1.
What is the InChIKey of 1-(4,6-dimethyl-5-phenylmethoxy-3-pyridinyl)ethanol?
The InChIKey is MBHTYRJADYBWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-11-15(13(3)18)9-17-12(2)16(11)19-10-14-7-5-4-6-8-14/h4-9,13,18H,10H2,1-3H3.
What are the key properties of 1-(4,6-dimethyl-5-phenylmethoxy-3-pyridinyl)ethanol?
1-(4,6-dimethyl-5-phenylmethoxy-3-pyridinyl)ethanol has a molecular weight of 257.33 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethyl-5-phenylmethoxy-3-pyridinyl)ethanol is sourced from PubChem (CID 15619962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).