azane;ethanol;phenylmethanol;hydrate

C9H19NO3 — CID 173440514

IUPACazane;ethanol;phenylmethanol;hydrate
SMILESCCO.N.O.OCc1ccccc1
InChIInChI=1S/C7H8O.C2H6O.H3N.H2O/c8-6-7-4-2-1-3-5-7;1-2-3;;/h1-5,8H,6H2;3H,2H2,1H3;1H3;1H2
InChIKeyRMNUWICHFCOSOV-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.51
Rot. Bonds1

About azane;ethanol;phenylmethanol;hydrate

azane;ethanol;phenylmethanol;hydrate (PubChem CID 173440514) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is azane;ethanol;phenylmethanol;hydrate.

Molecular Properties

Compound Nameazane;ethanol;phenylmethanol;hydrate
PubChem CID173440514
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Nameazane;ethanol;phenylmethanol;hydrate
SMILESCCO.N.O.OCc1ccccc1
InChIInChI=1S/C7H8O.C2H6O.H3N.H2O/c8-6-7-4-2-1-3-5-7;1-2-3;;/h1-5,8H,6H2;3H,2H2,1H3;1H3;1H2
InChIKeyRMNUWICHFCOSOV-UHFFFAOYSA-N
XLogP0.51
TPSA106.96 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of azane;ethanol;phenylmethanol;hydrate?
The IUPAC name of azane;ethanol;phenylmethanol;hydrate (CID 173440514) is azane;ethanol;phenylmethanol;hydrate.
What is the SMILES notation for azane;ethanol;phenylmethanol;hydrate?
The canonical SMILES for azane;ethanol;phenylmethanol;hydrate is CCO.N.O.OCc1ccccc1.
What is the InChIKey of azane;ethanol;phenylmethanol;hydrate?
The InChIKey is RMNUWICHFCOSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O.C2H6O.H3N.H2O/c8-6-7-4-2-1-3-5-7;1-2-3;;/h1-5,8H,6H2;3H,2H2,1H3;1H3;1H2.
What are the key properties of azane;ethanol;phenylmethanol;hydrate?
azane;ethanol;phenylmethanol;hydrate has a molecular weight of 189.25 g/mol, XLogP of 0.51, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;ethanol;phenylmethanol;hydrate is sourced from PubChem (CID 173440514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).