[4,5-bis(phenylmethoxy)-2-pyridinyl]methanol

C20H19NO3 — CID 14182500

IUPAC[4,5-bis(phenylmethoxy)-2-pyridinyl]methanol
SMILESOCc1cc(OCc2ccccc2)c(OCc2ccccc2)cn1
InChIInChI=1S/C20H19NO3/c22-13-18-11-19(23-14-16-7-3-1-4-8-16)20(12-21-18)24-15-17-9-5-2-6-10-17/h1-12,22H,13-15H2
InChIKeyNNEDRWCGFQMNLA-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.73
Rot. Bonds7

About [4,5-bis(phenylmethoxy)-2-pyridinyl]methanol

[4,5-bis(phenylmethoxy)-2-pyridinyl]methanol (PubChem CID 14182500) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is [4,5-bis(phenylmethoxy)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[4,5-bis(phenylmethoxy)-2-pyridinyl]methanol
PubChem CID14182500
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name[4,5-bis(phenylmethoxy)-2-pyridinyl]methanol
SMILESOCc1cc(OCc2ccccc2)c(OCc2ccccc2)cn1
InChIInChI=1S/C20H19NO3/c22-13-18-11-19(23-14-16-7-3-1-4-8-16)20(12-21-18)24-15-17-9-5-2-6-10-17/h1-12,22H,13-15H2
InChIKeyNNEDRWCGFQMNLA-UHFFFAOYSA-N
XLogP3.73
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4,5-bis(phenylmethoxy)-2-pyridinyl]methanol?
The IUPAC name of [4,5-bis(phenylmethoxy)-2-pyridinyl]methanol (CID 14182500) is [4,5-bis(phenylmethoxy)-2-pyridinyl]methanol.
What is the SMILES notation for [4,5-bis(phenylmethoxy)-2-pyridinyl]methanol?
The canonical SMILES for [4,5-bis(phenylmethoxy)-2-pyridinyl]methanol is OCc1cc(OCc2ccccc2)c(OCc2ccccc2)cn1.
What is the InChIKey of [4,5-bis(phenylmethoxy)-2-pyridinyl]methanol?
The InChIKey is NNEDRWCGFQMNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c22-13-18-11-19(23-14-16-7-3-1-4-8-16)20(12-21-18)24-15-17-9-5-2-6-10-17/h1-12,22H,13-15H2.
What are the key properties of [4,5-bis(phenylmethoxy)-2-pyridinyl]methanol?
[4,5-bis(phenylmethoxy)-2-pyridinyl]methanol has a molecular weight of 321.38 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4,5-bis(phenylmethoxy)-2-pyridinyl]methanol is sourced from PubChem (CID 14182500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).