ethane;8-phosphanylquinoxalin-5-ol

C10H13N2OP — CID 142879352

IUPACethane;8-phosphanylquinoxalin-5-ol
SMILESCC.Oc1ccc(P)c2nccnc12
InChIInChI=1S/C8H7N2OP.C2H6/c11-5-1-2-6(12)8-7(5)9-3-4-10-8;1-2/h1-4,11H,12H2;1-2H3
InChIKeyDYGUPODPKXRNOO-UHFFFAOYSA-N
MW208.20 g/mol
LogP1.86
Rot. Bonds

About ethane;8-phosphanylquinoxalin-5-ol

ethane;8-phosphanylquinoxalin-5-ol (PubChem CID 142879352) has the molecular formula C10H13N2OP and a molecular weight of 208.20 g/mol. Its IUPAC name is ethane;8-phosphanylquinoxalin-5-ol.

Molecular Properties

Compound Nameethane;8-phosphanylquinoxalin-5-ol
PubChem CID142879352
Molecular FormulaC10H13N2OP
Molecular Weight208.20 g/mol
Exact Mass208.08
IUPAC Nameethane;8-phosphanylquinoxalin-5-ol
SMILESCC.Oc1ccc(P)c2nccnc12
InChIInChI=1S/C8H7N2OP.C2H6/c11-5-1-2-6(12)8-7(5)9-3-4-10-8;1-2/h1-4,11H,12H2;1-2H3
InChIKeyDYGUPODPKXRNOO-UHFFFAOYSA-N
XLogP1.86
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.20
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;8-phosphanylquinoxalin-5-ol?
The IUPAC name of ethane;8-phosphanylquinoxalin-5-ol (CID 142879352) is ethane;8-phosphanylquinoxalin-5-ol.
What is the SMILES notation for ethane;8-phosphanylquinoxalin-5-ol?
The canonical SMILES for ethane;8-phosphanylquinoxalin-5-ol is CC.Oc1ccc(P)c2nccnc12.
What is the InChIKey of ethane;8-phosphanylquinoxalin-5-ol?
The InChIKey is DYGUPODPKXRNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N2OP.C2H6/c11-5-1-2-6(12)8-7(5)9-3-4-10-8;1-2/h1-4,11H,12H2;1-2H3.
What are the key properties of ethane;8-phosphanylquinoxalin-5-ol?
ethane;8-phosphanylquinoxalin-5-ol has a molecular weight of 208.20 g/mol, XLogP of 1.86, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;8-phosphanylquinoxalin-5-ol is sourced from PubChem (CID 142879352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).