2-(2-hydroxyethoxy)ethanol;phosphanyl(tritio)phosphane;pyridin-3-ol;1H-pyridin-4-one;2-(2-pyridin-3-yloxyethoxy)ethanol;2-(2-pyridin-4-yloxyethoxy)ethanol

C32H50N4O11P2 — CID 158985875

IUPAC2-(2-hydroxyethoxy)ethanol;phosphanyl(tritio)phosphane;pyridin-3-ol;1H-pyridin-4-one;2-(2-pyridin-3-yloxyethoxy)ethanol;2-(2-pyridin-4-yloxyethoxy)ethanol
SMILESO=c1cc[nH]cc1.OCCOCCO.OCCOCCOc1cccnc1.OCCOCCOc1ccncc1.Oc1cccnc1.[3H]PP
InChIInChI=1S/2C9H13NO3.2C5H5NO.C4H10O3.H4P2/c11-5-6-12-7-8-13-9-1-3-10-4-2-9;11-4-5-12-6-7-13-9-2-1-3-10-8-9;7-5-1-3-6-4-2-5;7-5-2-1-3-6-4-5;5-1-3-7-4-2-6;1-2/h1-4,11H,5-8H2;1-3,8,11H,4-7H2;1-4H,(H,6,7);1-4,7H;5-6H,1-4H2;1-2H2/i;;;;;1T
InChIKeyJPOHJRLYSPERFQ-CIMULNRBSA-N
MW730.73 g/mol
LogP1.74
Rot. Bonds16

About 2-(2-hydroxyethoxy)ethanol;phosphanyl(tritio)phosphane;pyridin-3-ol;1H-pyridin-4-one;2-(2-pyridin-3-yloxyethoxy)ethanol;2-(2-pyridin-4-yloxyethoxy)ethanol

2-(2-hydroxyethoxy)ethanol;phosphanyl(tritio)phosphane;pyridin-3-ol;1H-pyridin-4-one;2-(2-pyridin-3-yloxyethoxy)ethanol;2-(2-pyridin-4-yloxyethoxy)ethanol (PubChem CID 158985875) has the molecular formula C32H50N4O11P2 and a molecular weight of 730.73 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)ethanol;phosphanyl(tritio)phosphane;pyridin-3-ol;1H-pyridin-4-one;2-(2-pyridin-3-yloxyethoxy)ethanol;2-(2-pyridin-4-yloxyethoxy)ethanol.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)ethanol;phosphanyl(tritio)phosphane;pyridin-3-ol;1H-pyridin-4-one;2-(2-pyridin-3-yloxyethoxy)ethanol;2-(2-pyridin-4-yloxyethoxy)ethanol
PubChem CID158985875
Molecular FormulaC32H50N4O11P2
Molecular Weight730.73 g/mol
Exact Mass730.30
IUPAC Name2-(2-hydroxyethoxy)ethanol;phosphanyl(tritio)phosphane;pyridin-3-ol;1H-pyridin-4-one;2-(2-pyridin-3-yloxyethoxy)ethanol;2-(2-pyridin-4-yloxyethoxy)ethanol
SMILESO=c1cc[nH]cc1.OCCOCCO.OCCOCCOc1cccnc1.OCCOCCOc1ccncc1.Oc1cccnc1.[3H]PP
InChIInChI=1S/2C9H13NO3.2C5H5NO.C4H10O3.H4P2/c11-5-6-12-7-8-13-9-1-3-10-4-2-9;11-4-5-12-6-7-13-9-2-1-3-10-8-9;7-5-1-3-6-4-2-5;7-5-2-1-3-6-4-5;5-1-3-7-4-2-6;1-2/h1-4,11H,5-8H2;1-3,8,11H,4-7H2;1-4H,(H,6,7);1-4,7H;5-6H,1-4H2;1-2H2/i;;;;;1T
InChIKeyJPOHJRLYSPERFQ-CIMULNRBSA-N
XLogP1.74
TPSA218.83 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds16
Heavy Atoms49
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500730.73
LogP ≤ 51.74
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

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Related Compounds

2-(2-hydroxyethoxy)ethanol;3-methylpenta-1,4-diene;phosphanyl(tritio)phosphane;pyridin-3-ol;1H-pyridin-4-one;2-(2-pyridin-3-yloxyethoxy)ethanol;2-(2-pyridin-4-yloxyethoxy)ethanol
CID 161875698

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxy)ethanol;phosphanyl(tritio)phosphane;pyridin-3-ol;1H-pyridin-4-one;2-(2-pyridin-3-yloxyethoxy)ethanol;2-(2-pyridin-4-yloxyethoxy)ethanol?
The IUPAC name of 2-(2-hydroxyethoxy)ethanol;phosphanyl(tritio)phosphane;pyridin-3-ol;1H-pyridin-4-one;2-(2-pyridin-3-yloxyethoxy)ethanol;2-(2-pyridin-4-yloxyethoxy)ethanol (CID 158985875) is 2-(2-hydroxyethoxy)ethanol;phosphanyl(tritio)phosphane;pyridin-3-ol;1H-pyridin-4-one;2-(2-pyridin-3-yloxyethoxy)ethanol;2-(2-pyridin-4-yloxyethoxy)ethanol.
What is the SMILES notation for 2-(2-hydroxyethoxy)ethanol;phosphanyl(tritio)phosphane;pyridin-3-ol;1H-pyridin-4-one;2-(2-pyridin-3-yloxyethoxy)ethanol;2-(2-pyridin-4-yloxyethoxy)ethanol?
The canonical SMILES for 2-(2-hydroxyethoxy)ethanol;phosphanyl(tritio)phosphane;pyridin-3-ol;1H-pyridin-4-one;2-(2-pyridin-3-yloxyethoxy)ethanol;2-(2-pyridin-4-yloxyethoxy)ethanol is O=c1cc[nH]cc1.OCCOCCO.OCCOCCOc1cccnc1.OCCOCCOc1ccncc1.Oc1cccnc1.[3H]PP.
What is the InChIKey of 2-(2-hydroxyethoxy)ethanol;phosphanyl(tritio)phosphane;pyridin-3-ol;1H-pyridin-4-one;2-(2-pyridin-3-yloxyethoxy)ethanol;2-(2-pyridin-4-yloxyethoxy)ethanol?
The InChIKey is JPOHJRLYSPERFQ-CIMULNRBSA-N. The full InChI is InChI=1S/2C9H13NO3.2C5H5NO.C4H10O3.H4P2/c11-5-6-12-7-8-13-9-1-3-10-4-2-9;11-4-5-12-6-7-13-9-2-1-3-10-8-9;7-5-1-3-6-4-2-5;7-5-2-1-3-6-4-5;5-1-3-7-4-2-6;1-2/h1-4,11H,5-8H2;1-3,8,11H,4-7H2;1-4H,(H,6,7);1-4,7H;5-6H,1-4H2;1-2H2/i;;;;;1T.
What are the key properties of 2-(2-hydroxyethoxy)ethanol;phosphanyl(tritio)phosphane;pyridin-3-ol;1H-pyridin-4-one;2-(2-pyridin-3-yloxyethoxy)ethanol;2-(2-pyridin-4-yloxyethoxy)ethanol?
2-(2-hydroxyethoxy)ethanol;phosphanyl(tritio)phosphane;pyridin-3-ol;1H-pyridin-4-one;2-(2-pyridin-3-yloxyethoxy)ethanol;2-(2-pyridin-4-yloxyethoxy)ethanol has a molecular weight of 730.73 g/mol, XLogP of 1.74, 16 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)ethanol;phosphanyl(tritio)phosphane;pyridin-3-ol;1H-pyridin-4-one;2-(2-pyridin-3-yloxyethoxy)ethanol;2-(2-pyridin-4-yloxyethoxy)ethanol is sourced from PubChem (CID 158985875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).