2,3-dihydroxypropyl (2-phenylhydrazinyl) carbonate

C10H14N2O5 — CID 66916810

IUPAC2,3-dihydroxypropyl (2-phenylhydrazinyl) carbonate
SMILESO=C(OCC(O)CO)ONNc1ccccc1
InChIInChI=1S/C10H14N2O5/c13-6-9(14)7-16-10(15)17-12-11-8-4-2-1-3-5-8/h1-5,9,11-14H,6-7H2
InChIKeyOJHCLIFKQRCAFR-UHFFFAOYSA-N
MW242.23 g/mol
LogP0.02
Rot. Bonds6

About 2,3-dihydroxypropyl (2-phenylhydrazinyl) carbonate

2,3-dihydroxypropyl (2-phenylhydrazinyl) carbonate (PubChem CID 66916810) has the molecular formula C10H14N2O5 and a molecular weight of 242.23 g/mol. Its IUPAC name is 2,3-dihydroxypropyl (2-phenylhydrazinyl) carbonate.

Molecular Properties

Compound Name2,3-dihydroxypropyl (2-phenylhydrazinyl) carbonate
PubChem CID66916810
Molecular FormulaC10H14N2O5
Molecular Weight242.23 g/mol
Exact Mass242.09
IUPAC Name2,3-dihydroxypropyl (2-phenylhydrazinyl) carbonate
SMILESO=C(OCC(O)CO)ONNc1ccccc1
InChIInChI=1S/C10H14N2O5/c13-6-9(14)7-16-10(15)17-12-11-8-4-2-1-3-5-8/h1-5,9,11-14H,6-7H2
InChIKeyOJHCLIFKQRCAFR-UHFFFAOYSA-N
XLogP0.02
TPSA100.05 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 50.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2,3-dihydroxypropyl (2-phenylhydrazinyl) carbonate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxypropyl (2-phenylhydrazinyl) carbonate?
The IUPAC name of 2,3-dihydroxypropyl (2-phenylhydrazinyl) carbonate (CID 66916810) is 2,3-dihydroxypropyl (2-phenylhydrazinyl) carbonate.
What is the SMILES notation for 2,3-dihydroxypropyl (2-phenylhydrazinyl) carbonate?
The canonical SMILES for 2,3-dihydroxypropyl (2-phenylhydrazinyl) carbonate is O=C(OCC(O)CO)ONNc1ccccc1.
What is the InChIKey of 2,3-dihydroxypropyl (2-phenylhydrazinyl) carbonate?
The InChIKey is OJHCLIFKQRCAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5/c13-6-9(14)7-16-10(15)17-12-11-8-4-2-1-3-5-8/h1-5,9,11-14H,6-7H2.
What are the key properties of 2,3-dihydroxypropyl (2-phenylhydrazinyl) carbonate?
2,3-dihydroxypropyl (2-phenylhydrazinyl) carbonate has a molecular weight of 242.23 g/mol, XLogP of 0.02, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxypropyl (2-phenylhydrazinyl) carbonate is sourced from PubChem (CID 66916810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).