[2-(3,5-dimethoxy-4-methylphenyl)-3-pyridinyl]methanol

C15H17NO3 — CID 142818156

IUPAC[2-(3,5-dimethoxy-4-methylphenyl)-3-pyridinyl]methanol
SMILESCOc1cc(-c2ncccc2CO)cc(OC)c1C
InChIInChI=1S/C15H17NO3/c1-10-13(18-2)7-12(8-14(10)19-3)15-11(9-17)5-4-6-16-15/h4-8,17H,9H2,1-3H3
InChIKeyOPBVBEWZTKVWOG-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.57
Rot. Bonds4

About [2-(3,5-dimethoxy-4-methylphenyl)-3-pyridinyl]methanol

[2-(3,5-dimethoxy-4-methylphenyl)-3-pyridinyl]methanol (PubChem CID 142818156) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is [2-(3,5-dimethoxy-4-methylphenyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-(3,5-dimethoxy-4-methylphenyl)-3-pyridinyl]methanol
PubChem CID142818156
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name[2-(3,5-dimethoxy-4-methylphenyl)-3-pyridinyl]methanol
SMILESCOc1cc(-c2ncccc2CO)cc(OC)c1C
InChIInChI=1S/C15H17NO3/c1-10-13(18-2)7-12(8-14(10)19-3)15-11(9-17)5-4-6-16-15/h4-8,17H,9H2,1-3H3
InChIKeyOPBVBEWZTKVWOG-UHFFFAOYSA-N
XLogP2.57
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dimethoxy-4-methylphenyl)-3-pyridinyl]methanol?
The IUPAC name of [2-(3,5-dimethoxy-4-methylphenyl)-3-pyridinyl]methanol (CID 142818156) is [2-(3,5-dimethoxy-4-methylphenyl)-3-pyridinyl]methanol.
What is the SMILES notation for [2-(3,5-dimethoxy-4-methylphenyl)-3-pyridinyl]methanol?
The canonical SMILES for [2-(3,5-dimethoxy-4-methylphenyl)-3-pyridinyl]methanol is COc1cc(-c2ncccc2CO)cc(OC)c1C.
What is the InChIKey of [2-(3,5-dimethoxy-4-methylphenyl)-3-pyridinyl]methanol?
The InChIKey is OPBVBEWZTKVWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-10-13(18-2)7-12(8-14(10)19-3)15-11(9-17)5-4-6-16-15/h4-8,17H,9H2,1-3H3.
What are the key properties of [2-(3,5-dimethoxy-4-methylphenyl)-3-pyridinyl]methanol?
[2-(3,5-dimethoxy-4-methylphenyl)-3-pyridinyl]methanol has a molecular weight of 259.31 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dimethoxy-4-methylphenyl)-3-pyridinyl]methanol is sourced from PubChem (CID 142818156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).