[6-(phenoxycarbonyloxymethyl)-2-pyridinyl]methyl phenyl carbonate

C21H17NO6 — CID 165352260

IUPAC[6-(phenoxycarbonyloxymethyl)-2-pyridinyl]methyl phenyl carbonate
SMILESO=C(OCc1cccc(COC(=O)Oc2ccccc2)n1)Oc1ccccc1
InChIInChI=1S/C21H17NO6/c23-20(27-18-10-3-1-4-11-18)25-14-16-8-7-9-17(22-16)15-26-21(24)28-19-12-5-2-6-13-19/h1-13H,14-15H2
InChIKeyKLBJYPPZVGQXRC-UHFFFAOYSA-N
MW379.37 g/mol
LogP4.51
Rot. Bonds6

About [6-(phenoxycarbonyloxymethyl)-2-pyridinyl]methyl phenyl carbonate

[6-(phenoxycarbonyloxymethyl)-2-pyridinyl]methyl phenyl carbonate (PubChem CID 165352260) has the molecular formula C21H17NO6 and a molecular weight of 379.37 g/mol. Its IUPAC name is [6-(phenoxycarbonyloxymethyl)-2-pyridinyl]methyl phenyl carbonate.

Molecular Properties

Compound Name[6-(phenoxycarbonyloxymethyl)-2-pyridinyl]methyl phenyl carbonate
PubChem CID165352260
Molecular FormulaC21H17NO6
Molecular Weight379.37 g/mol
Exact Mass379.11
IUPAC Name[6-(phenoxycarbonyloxymethyl)-2-pyridinyl]methyl phenyl carbonate
SMILESO=C(OCc1cccc(COC(=O)Oc2ccccc2)n1)Oc1ccccc1
InChIInChI=1S/C21H17NO6/c23-20(27-18-10-3-1-4-11-18)25-14-16-8-7-9-17(22-16)15-26-21(24)28-19-12-5-2-6-13-19/h1-13H,14-15H2
InChIKeyKLBJYPPZVGQXRC-UHFFFAOYSA-N
XLogP4.51
TPSA83.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

Analyze [6-(phenoxycarbonyloxymethyl)-2-pyridinyl]methyl phenyl carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-methoxyphenyl)methyl phenyl carbonate
CID 3084543
(dimethylamino)methyl phenyl carbonate
CID 59882405
phenyl sulfino carbonate
CID 56974658
[6-(methylcarbamoyloxymethyl)-2-pyridinyl]methyl N-methylcarbamate
CID 4990
(3,5-ditert-butylphenyl)methyl phenyl carbonate
CID 13267560
benzyl (4-methylphenyl) carbonate
CID 118690287
6-(phenoxymethyl)pyridine-2-carboxylic acid
CID 54566453
dimethyl-(2-oxo-2-phenoxyethyl)-(2-phenoxycarbonyloxyethyl)azanium
CID 19962804
(2-ethoxyphenyl)methyl phenyl carbonate
CID 69009806
benzyl (4-formylphenyl) carbonate
CID 11334337
2-hydroxy-N-[[6-(phenoxymethyl)-2-pyridinyl]methyl]acetamide
CID 167239871
[4-(4-phenoxycarbonyloxyphenyl)phenyl] phenyl carbonate
CID 143295310

Frequently Asked Questions

What is the IUPAC name of [6-(phenoxycarbonyloxymethyl)-2-pyridinyl]methyl phenyl carbonate?
The IUPAC name of [6-(phenoxycarbonyloxymethyl)-2-pyridinyl]methyl phenyl carbonate (CID 165352260) is [6-(phenoxycarbonyloxymethyl)-2-pyridinyl]methyl phenyl carbonate.
What is the SMILES notation for [6-(phenoxycarbonyloxymethyl)-2-pyridinyl]methyl phenyl carbonate?
The canonical SMILES for [6-(phenoxycarbonyloxymethyl)-2-pyridinyl]methyl phenyl carbonate is O=C(OCc1cccc(COC(=O)Oc2ccccc2)n1)Oc1ccccc1.
What is the InChIKey of [6-(phenoxycarbonyloxymethyl)-2-pyridinyl]methyl phenyl carbonate?
The InChIKey is KLBJYPPZVGQXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO6/c23-20(27-18-10-3-1-4-11-18)25-14-16-8-7-9-17(22-16)15-26-21(24)28-19-12-5-2-6-13-19/h1-13H,14-15H2.
What are the key properties of [6-(phenoxycarbonyloxymethyl)-2-pyridinyl]methyl phenyl carbonate?
[6-(phenoxycarbonyloxymethyl)-2-pyridinyl]methyl phenyl carbonate has a molecular weight of 379.37 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(phenoxycarbonyloxymethyl)-2-pyridinyl]methyl phenyl carbonate is sourced from PubChem (CID 165352260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).