[6-methyl-4-(2,3,6-trimethylphenoxy)-3-pyridinyl]methanol

C16H19NO2 — CID 81238111

IUPAC[6-methyl-4-(2,3,6-trimethylphenoxy)-3-pyridinyl]methanol
SMILESCc1cc(Oc2c(C)ccc(C)c2C)c(CO)cn1
InChIInChI=1S/C16H19NO2/c1-10-5-6-11(2)16(13(10)4)19-15-7-12(3)17-8-14(15)9-18/h5-8,18H,9H2,1-4H3
InChIKeyPVHLOTHJOVTMSE-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.60
Rot. Bonds3

About [6-methyl-4-(2,3,6-trimethylphenoxy)-3-pyridinyl]methanol

[6-methyl-4-(2,3,6-trimethylphenoxy)-3-pyridinyl]methanol (PubChem CID 81238111) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is [6-methyl-4-(2,3,6-trimethylphenoxy)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-methyl-4-(2,3,6-trimethylphenoxy)-3-pyridinyl]methanol
PubChem CID81238111
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name[6-methyl-4-(2,3,6-trimethylphenoxy)-3-pyridinyl]methanol
SMILESCc1cc(Oc2c(C)ccc(C)c2C)c(CO)cn1
InChIInChI=1S/C16H19NO2/c1-10-5-6-11(2)16(13(10)4)19-15-7-12(3)17-8-14(15)9-18/h5-8,18H,9H2,1-4H3
InChIKeyPVHLOTHJOVTMSE-UHFFFAOYSA-N
XLogP3.60
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-methyl-4-(2,3,6-trimethylphenoxy)-3-pyridinyl]methanol?
The IUPAC name of [6-methyl-4-(2,3,6-trimethylphenoxy)-3-pyridinyl]methanol (CID 81238111) is [6-methyl-4-(2,3,6-trimethylphenoxy)-3-pyridinyl]methanol.
What is the SMILES notation for [6-methyl-4-(2,3,6-trimethylphenoxy)-3-pyridinyl]methanol?
The canonical SMILES for [6-methyl-4-(2,3,6-trimethylphenoxy)-3-pyridinyl]methanol is Cc1cc(Oc2c(C)ccc(C)c2C)c(CO)cn1.
What is the InChIKey of [6-methyl-4-(2,3,6-trimethylphenoxy)-3-pyridinyl]methanol?
The InChIKey is PVHLOTHJOVTMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-10-5-6-11(2)16(13(10)4)19-15-7-12(3)17-8-14(15)9-18/h5-8,18H,9H2,1-4H3.
What are the key properties of [6-methyl-4-(2,3,6-trimethylphenoxy)-3-pyridinyl]methanol?
[6-methyl-4-(2,3,6-trimethylphenoxy)-3-pyridinyl]methanol has a molecular weight of 257.33 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-4-(2,3,6-trimethylphenoxy)-3-pyridinyl]methanol is sourced from PubChem (CID 81238111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).