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

C15H17NO4 — CID 22557920

IUPAC[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]methanol
SMILESCOc1cc(-c2ncccc2CO)cc(OC)c1OC
InChIInChI=1S/C15H17NO4/c1-18-12-7-11(8-13(19-2)15(12)20-3)14-10(9-17)5-4-6-16-14/h4-8,17H,9H2,1-3H3
InChIKeyPLGRYKDGPBOIKE-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.27
Rot. Bonds5

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

[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]methanol (PubChem CID 22557920) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is [2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]methanol
PubChem CID22557920
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]methanol
SMILESCOc1cc(-c2ncccc2CO)cc(OC)c1OC
InChIInChI=1S/C15H17NO4/c1-18-12-7-11(8-13(19-2)15(12)20-3)14-10(9-17)5-4-6-16-14/h4-8,17H,9H2,1-3H3
InChIKeyPLGRYKDGPBOIKE-UHFFFAOYSA-N
XLogP2.27
TPSA60.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]methanol?
The IUPAC name of [2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]methanol (CID 22557920) is [2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]methanol.
What is the SMILES notation for [2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]methanol?
The canonical SMILES for [2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]methanol is COc1cc(-c2ncccc2CO)cc(OC)c1OC.
What is the InChIKey of [2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]methanol?
The InChIKey is PLGRYKDGPBOIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-18-12-7-11(8-13(19-2)15(12)20-3)14-10(9-17)5-4-6-16-14/h4-8,17H,9H2,1-3H3.
What are the key properties of [2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]methanol?
[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]methanol has a molecular weight of 275.30 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]methanol is sourced from PubChem (CID 22557920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).