1-(4-methoxy-2,5-dimethylphenyl)-3-pyridin-2-ylpropan-1-ol

C17H21NO2 — CID 105124333

IUPAC1-(4-methoxy-2,5-dimethylphenyl)-3-pyridin-2-ylpropan-1-ol
SMILESCOc1cc(C)c(C(O)CCc2ccccn2)cc1C
InChIInChI=1S/C17H21NO2/c1-12-11-17(20-3)13(2)10-15(12)16(19)8-7-14-6-4-5-9-18-14/h4-6,9-11,16,19H,7-8H2,1-3H3
InChIKeyBBPRUMACFSSHEQ-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.37
Rot. Bonds5

About 1-(4-methoxy-2,5-dimethylphenyl)-3-pyridin-2-ylpropan-1-ol

1-(4-methoxy-2,5-dimethylphenyl)-3-pyridin-2-ylpropan-1-ol (PubChem CID 105124333) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(4-methoxy-2,5-dimethylphenyl)-3-pyridin-2-ylpropan-1-ol.

Molecular Properties

Compound Name1-(4-methoxy-2,5-dimethylphenyl)-3-pyridin-2-ylpropan-1-ol
PubChem CID105124333
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name1-(4-methoxy-2,5-dimethylphenyl)-3-pyridin-2-ylpropan-1-ol
SMILESCOc1cc(C)c(C(O)CCc2ccccn2)cc1C
InChIInChI=1S/C17H21NO2/c1-12-11-17(20-3)13(2)10-15(12)16(19)8-7-14-6-4-5-9-18-14/h4-6,9-11,16,19H,7-8H2,1-3H3
InChIKeyBBPRUMACFSSHEQ-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxy-2,5-dimethylphenyl)-3-pyridin-2-ylpropan-1-amine
CID 105179118
1-(5-fluoro-2-methoxyphenyl)-3-pyridin-2-ylpropan-1-ol
CID 105122398
1-(3-bromo-2,4-dimethoxyphenyl)-3-pyridin-2-ylpropan-1-ol
CID 103524557
1-(4-methoxy-2,5-dimethylphenyl)-4-methylpentan-1-ol
CID 113370104
1-(2-chlorophenyl)-3-pyridin-2-ylpropan-1-ol
CID 105079856
1-(2-methoxy-4,6-dimethylphenyl)-2-pyridin-2-ylethanol
CID 106680148
[1-(2-methoxy-4,6-dimethylphenyl)-3-pyridin-2-ylpropyl]hydrazine
CID 106682947
3-(ethylamino)-1-(4-methoxy-2,5-dimethylphenyl)propan-1-ol
CID 112510132
2,5-dimethoxy-4-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 110763244
3-hydroxy-3-(4-methoxy-2,5-dimethylphenyl)propanoic acid
CID 82366763
2-(3-chlorophenoxy)-1-(4-methoxy-2,5-dimethylphenyl)ethanol
CID 105124244
1-(2,4-dimethoxyphenyl)-3-pyridin-2-ylpropan-1-amine
CID 105145160

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2,5-dimethylphenyl)-3-pyridin-2-ylpropan-1-ol?
The IUPAC name of 1-(4-methoxy-2,5-dimethylphenyl)-3-pyridin-2-ylpropan-1-ol (CID 105124333) is 1-(4-methoxy-2,5-dimethylphenyl)-3-pyridin-2-ylpropan-1-ol.
What is the SMILES notation for 1-(4-methoxy-2,5-dimethylphenyl)-3-pyridin-2-ylpropan-1-ol?
The canonical SMILES for 1-(4-methoxy-2,5-dimethylphenyl)-3-pyridin-2-ylpropan-1-ol is COc1cc(C)c(C(O)CCc2ccccn2)cc1C.
What is the InChIKey of 1-(4-methoxy-2,5-dimethylphenyl)-3-pyridin-2-ylpropan-1-ol?
The InChIKey is BBPRUMACFSSHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-12-11-17(20-3)13(2)10-15(12)16(19)8-7-14-6-4-5-9-18-14/h4-6,9-11,16,19H,7-8H2,1-3H3.
What are the key properties of 1-(4-methoxy-2,5-dimethylphenyl)-3-pyridin-2-ylpropan-1-ol?
1-(4-methoxy-2,5-dimethylphenyl)-3-pyridin-2-ylpropan-1-ol has a molecular weight of 271.36 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2,5-dimethylphenyl)-3-pyridin-2-ylpropan-1-ol is sourced from PubChem (CID 105124333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).