[6-methyl-4-(3-methyl-4-propan-2-ylphenoxy)-3-pyridinyl]methanol

C17H21NO2 — CID 81238278

IUPAC[6-methyl-4-(3-methyl-4-propan-2-ylphenoxy)-3-pyridinyl]methanol
SMILESCc1cc(Oc2ccc(C(C)C)c(C)c2)c(CO)cn1
InChIInChI=1S/C17H21NO2/c1-11(2)16-6-5-15(7-12(16)3)20-17-8-13(4)18-9-14(17)10-19/h5-9,11,19H,10H2,1-4H3
InChIKeyXUSSIQLOEHHVAC-UHFFFAOYSA-N
MW271.36 g/mol
LogP4.11
Rot. Bonds4

About [6-methyl-4-(3-methyl-4-propan-2-ylphenoxy)-3-pyridinyl]methanol

[6-methyl-4-(3-methyl-4-propan-2-ylphenoxy)-3-pyridinyl]methanol (PubChem CID 81238278) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is [6-methyl-4-(3-methyl-4-propan-2-ylphenoxy)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-methyl-4-(3-methyl-4-propan-2-ylphenoxy)-3-pyridinyl]methanol
PubChem CID81238278
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name[6-methyl-4-(3-methyl-4-propan-2-ylphenoxy)-3-pyridinyl]methanol
SMILESCc1cc(Oc2ccc(C(C)C)c(C)c2)c(CO)cn1
InChIInChI=1S/C17H21NO2/c1-11(2)16-6-5-15(7-12(16)3)20-17-8-13(4)18-9-14(17)10-19/h5-9,11,19H,10H2,1-4H3
InChIKeyXUSSIQLOEHHVAC-UHFFFAOYSA-N
XLogP4.11
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[6-methyl-4-(4-propan-2-ylphenoxy)-3-pyridinyl]methanol
CID 81238941
[4-(4-iodophenoxy)-6-methyl-3-pyridinyl]methanol
CID 81237579
[6-methyl-4-(2,3,6-trimethylphenoxy)-3-pyridinyl]methanol
CID 81238111
[4-(5-bromo-2-methylphenoxy)-6-methyl-3-pyridinyl]methanol
CID 107285369
[4-(2-bromophenoxy)-6-methyl-3-pyridinyl]methanol
CID 81237020
[6-(3-methyl-4-propan-2-ylphenoxy)pyridazin-3-yl]methanol
CID 61257121
5-(chloromethyl)-2-methyl-4-(2-propan-2-ylphenoxy)pyridine
CID 81234196
[6-methyl-4-(5-methyl-2-propan-2-ylphenoxy)-3-pyridinyl]methanamine
CID 81250497
N-methyl-1-[4-(3-methyl-4-propan-2-ylphenoxy)-3-pyridinyl]methanamine
CID 81250777
3-(3-methyl-4-propan-2-ylphenoxy)propan-1-ol
CID 43509991
5-(chloromethyl)-2-(3-methyl-4-propan-2-ylphenoxy)pyrimidine
CID 113387978
N-[[4-(3,4-dimethylphenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine
CID 81254541

Frequently Asked Questions

What is the IUPAC name of [6-methyl-4-(3-methyl-4-propan-2-ylphenoxy)-3-pyridinyl]methanol?
The IUPAC name of [6-methyl-4-(3-methyl-4-propan-2-ylphenoxy)-3-pyridinyl]methanol (CID 81238278) is [6-methyl-4-(3-methyl-4-propan-2-ylphenoxy)-3-pyridinyl]methanol.
What is the SMILES notation for [6-methyl-4-(3-methyl-4-propan-2-ylphenoxy)-3-pyridinyl]methanol?
The canonical SMILES for [6-methyl-4-(3-methyl-4-propan-2-ylphenoxy)-3-pyridinyl]methanol is Cc1cc(Oc2ccc(C(C)C)c(C)c2)c(CO)cn1.
What is the InChIKey of [6-methyl-4-(3-methyl-4-propan-2-ylphenoxy)-3-pyridinyl]methanol?
The InChIKey is XUSSIQLOEHHVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-11(2)16-6-5-15(7-12(16)3)20-17-8-13(4)18-9-14(17)10-19/h5-9,11,19H,10H2,1-4H3.
What are the key properties of [6-methyl-4-(3-methyl-4-propan-2-ylphenoxy)-3-pyridinyl]methanol?
[6-methyl-4-(3-methyl-4-propan-2-ylphenoxy)-3-pyridinyl]methanol has a molecular weight of 271.36 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-4-(3-methyl-4-propan-2-ylphenoxy)-3-pyridinyl]methanol is sourced from PubChem (CID 81238278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).