2-hydroxy-2,2-diphenylacetate;pyridin-1-ium-2-amine

C19H18N2O3 — CID 166624743

IUPAC2-hydroxy-2,2-diphenylacetate;pyridin-1-ium-2-amine
SMILESNc1cccc[nH+]1.O=C([O-])C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H12O3.C5H6N2/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12;6-5-3-1-2-4-7-5/h1-10,17H,(H,15,16);1-4H,(H2,6,7)
InChIKeyOAYGIICJHMOHIV-UHFFFAOYSA-N
MW322.36 g/mol
LogP0.76
Rot. Bonds3

About 2-hydroxy-2,2-diphenylacetate;pyridin-1-ium-2-amine

2-hydroxy-2,2-diphenylacetate;pyridin-1-ium-2-amine (PubChem CID 166624743) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 2-hydroxy-2,2-diphenylacetate;pyridin-1-ium-2-amine.

Molecular Properties

Compound Name2-hydroxy-2,2-diphenylacetate;pyridin-1-ium-2-amine
PubChem CID166624743
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name2-hydroxy-2,2-diphenylacetate;pyridin-1-ium-2-amine
SMILESNc1cccc[nH+]1.O=C([O-])C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H12O3.C5H6N2/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12;6-5-3-1-2-4-7-5/h1-10,17H,(H,15,16);1-4H,(H2,6,7)
InChIKeyOAYGIICJHMOHIV-UHFFFAOYSA-N
XLogP0.76
TPSA100.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2,2-diphenylacetate;pyridin-1-ium-2-amine?
The IUPAC name of 2-hydroxy-2,2-diphenylacetate;pyridin-1-ium-2-amine (CID 166624743) is 2-hydroxy-2,2-diphenylacetate;pyridin-1-ium-2-amine.
What is the SMILES notation for 2-hydroxy-2,2-diphenylacetate;pyridin-1-ium-2-amine?
The canonical SMILES for 2-hydroxy-2,2-diphenylacetate;pyridin-1-ium-2-amine is Nc1cccc[nH+]1.O=C([O-])C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-hydroxy-2,2-diphenylacetate;pyridin-1-ium-2-amine?
The InChIKey is OAYGIICJHMOHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3.C5H6N2/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12;6-5-3-1-2-4-7-5/h1-10,17H,(H,15,16);1-4H,(H2,6,7).
What are the key properties of 2-hydroxy-2,2-diphenylacetate;pyridin-1-ium-2-amine?
2-hydroxy-2,2-diphenylacetate;pyridin-1-ium-2-amine has a molecular weight of 322.36 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2,2-diphenylacetate;pyridin-1-ium-2-amine is sourced from PubChem (CID 166624743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).