2,6-dimethoxy-4-(2-pyridin-2-ylethyl)phenol

C15H17NO3 — CID 141470730

IUPAC2,6-dimethoxy-4-(2-pyridin-2-ylethyl)phenol
SMILESCOc1cc(CCc2ccccn2)cc(OC)c1O
InChIInChI=1S/C15H17NO3/c1-18-13-9-11(10-14(19-2)15(13)17)6-7-12-5-3-4-8-16-12/h3-5,8-10,17H,6-7H2,1-2H3
InChIKeyTUHMMXFIMOMFBP-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.59
Rot. Bonds5

About 2,6-dimethoxy-4-(2-pyridin-2-ylethyl)phenol

2,6-dimethoxy-4-(2-pyridin-2-ylethyl)phenol (PubChem CID 141470730) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2,6-dimethoxy-4-(2-pyridin-2-ylethyl)phenol.

Molecular Properties

Compound Name2,6-dimethoxy-4-(2-pyridin-2-ylethyl)phenol
PubChem CID141470730
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name2,6-dimethoxy-4-(2-pyridin-2-ylethyl)phenol
SMILESCOc1cc(CCc2ccccn2)cc(OC)c1O
InChIInChI=1S/C15H17NO3/c1-18-13-9-11(10-14(19-2)15(13)17)6-7-12-5-3-4-8-16-12/h3-5,8-10,17H,6-7H2,1-2H3
InChIKeyTUHMMXFIMOMFBP-UHFFFAOYSA-N
XLogP2.59
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-4-(2-pyridin-2-ylethyl)phenol?
The IUPAC name of 2,6-dimethoxy-4-(2-pyridin-2-ylethyl)phenol (CID 141470730) is 2,6-dimethoxy-4-(2-pyridin-2-ylethyl)phenol.
What is the SMILES notation for 2,6-dimethoxy-4-(2-pyridin-2-ylethyl)phenol?
The canonical SMILES for 2,6-dimethoxy-4-(2-pyridin-2-ylethyl)phenol is COc1cc(CCc2ccccn2)cc(OC)c1O.
What is the InChIKey of 2,6-dimethoxy-4-(2-pyridin-2-ylethyl)phenol?
The InChIKey is TUHMMXFIMOMFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-18-13-9-11(10-14(19-2)15(13)17)6-7-12-5-3-4-8-16-12/h3-5,8-10,17H,6-7H2,1-2H3.
What are the key properties of 2,6-dimethoxy-4-(2-pyridin-2-ylethyl)phenol?
2,6-dimethoxy-4-(2-pyridin-2-ylethyl)phenol has a molecular weight of 259.31 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-4-(2-pyridin-2-ylethyl)phenol is sourced from PubChem (CID 141470730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).