[2-methyl-6-[4-(2-methylpropoxy)phenyl]-3-pyridinyl]methanol

C17H21NO2 — CID 82453206

IUPAC[2-methyl-6-[4-(2-methylpropoxy)phenyl]-3-pyridinyl]methanol
SMILESCc1nc(-c2ccc(OCC(C)C)cc2)ccc1CO
InChIInChI=1S/C17H21NO2/c1-12(2)11-20-16-7-4-14(5-8-16)17-9-6-15(10-19)13(3)18-17/h4-9,12,19H,10-11H2,1-3H3
InChIKeyFMMKNIYFUASQDG-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.58
Rot. Bonds5

About [2-methyl-6-[4-(2-methylpropoxy)phenyl]-3-pyridinyl]methanol

[2-methyl-6-[4-(2-methylpropoxy)phenyl]-3-pyridinyl]methanol (PubChem CID 82453206) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is [2-methyl-6-[4-(2-methylpropoxy)phenyl]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-methyl-6-[4-(2-methylpropoxy)phenyl]-3-pyridinyl]methanol
PubChem CID82453206
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name[2-methyl-6-[4-(2-methylpropoxy)phenyl]-3-pyridinyl]methanol
SMILESCc1nc(-c2ccc(OCC(C)C)cc2)ccc1CO
InChIInChI=1S/C17H21NO2/c1-12(2)11-20-16-7-4-14(5-8-16)17-9-6-15(10-19)13(3)18-17/h4-9,12,19H,10-11H2,1-3H3
InChIKeyFMMKNIYFUASQDG-UHFFFAOYSA-N
XLogP3.58
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-methyl-6-[4-(2-methylpropoxy)phenyl]-3-pyridinyl]methyl]cyclopropanamine
CID 82453211
N-[[6-(4-ethoxyphenyl)-2-methyl-3-pyridinyl]methyl]ethanamine
CID 82453135
[2-methyl-6-[3-(2-methylpropoxy)phenyl]-3-pyridinyl]methanamine
CID 82453076
N-[[6-(4-ethoxyphenyl)-2-methyl-3-pyridinyl]methyl]propan-1-amine
CID 82453137
2-[4-(2-methylpropoxy)phenyl]pyridine
CID 57293788
N-[[6-(4-methoxyphenyl)-2-methyl-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 82453109
3-(chloromethyl)-2-methyl-6-[2-(2-methylpropoxy)phenyl]pyridine
CID 82452946
[4-[4-(2-methylpropoxy)phenyl]-1,3-oxazol-2-yl]methanamine
CID 95457468
6-[4-(2-methylpropoxy)phenyl]pyrimidin-4-amine
CID 82293784
2-amino-4-methyl-6-[4-(2-methylpropoxy)phenyl]pyrimidine-5-carbohydrazide
CID 54851412
5-methyl-3-[4-(2-methylpropoxy)phenyl]-1H-pyrazol-4-amine
CID 82479094
(4-methylphenyl)-[4-(2-methylpropoxy)phenyl]methanone
CID 786610

Frequently Asked Questions

What is the IUPAC name of [2-methyl-6-[4-(2-methylpropoxy)phenyl]-3-pyridinyl]methanol?
The IUPAC name of [2-methyl-6-[4-(2-methylpropoxy)phenyl]-3-pyridinyl]methanol (CID 82453206) is [2-methyl-6-[4-(2-methylpropoxy)phenyl]-3-pyridinyl]methanol.
What is the SMILES notation for [2-methyl-6-[4-(2-methylpropoxy)phenyl]-3-pyridinyl]methanol?
The canonical SMILES for [2-methyl-6-[4-(2-methylpropoxy)phenyl]-3-pyridinyl]methanol is Cc1nc(-c2ccc(OCC(C)C)cc2)ccc1CO.
What is the InChIKey of [2-methyl-6-[4-(2-methylpropoxy)phenyl]-3-pyridinyl]methanol?
The InChIKey is FMMKNIYFUASQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-12(2)11-20-16-7-4-14(5-8-16)17-9-6-15(10-19)13(3)18-17/h4-9,12,19H,10-11H2,1-3H3.
What are the key properties of [2-methyl-6-[4-(2-methylpropoxy)phenyl]-3-pyridinyl]methanol?
[2-methyl-6-[4-(2-methylpropoxy)phenyl]-3-pyridinyl]methanol has a molecular weight of 271.36 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-6-[4-(2-methylpropoxy)phenyl]-3-pyridinyl]methanol is sourced from PubChem (CID 82453206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).