azanium;phenylmethanol;hydroxide

C7H13NO2 — CID 70634097

IUPACazanium;phenylmethanol;hydroxide
SMILESOCc1ccccc1.[NH4+].[OH-]
InChIInChI=1S/C7H8O.H3N.H2O/c8-6-7-4-2-1-3-5-7;;/h1-5,8H,6H2;1H3;1H2
InChIKeyCNYNGAATMODDSU-UHFFFAOYSA-N
MW143.19 g/mol
LogP1.38
Rot. Bonds1

About azanium;phenylmethanol;hydroxide

azanium;phenylmethanol;hydroxide (PubChem CID 70634097) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is azanium;phenylmethanol;hydroxide.

Molecular Properties

Compound Nameazanium;phenylmethanol;hydroxide
PubChem CID70634097
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Nameazanium;phenylmethanol;hydroxide
SMILESOCc1ccccc1.[NH4+].[OH-]
InChIInChI=1S/C7H8O.H3N.H2O/c8-6-7-4-2-1-3-5-7;;/h1-5,8H,6H2;1H3;1H2
InChIKeyCNYNGAATMODDSU-UHFFFAOYSA-N
XLogP1.38
TPSA86.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of azanium;phenylmethanol;hydroxide?
The IUPAC name of azanium;phenylmethanol;hydroxide (CID 70634097) is azanium;phenylmethanol;hydroxide.
What is the SMILES notation for azanium;phenylmethanol;hydroxide?
The canonical SMILES for azanium;phenylmethanol;hydroxide is OCc1ccccc1.[NH4+].[OH-].
What is the InChIKey of azanium;phenylmethanol;hydroxide?
The InChIKey is CNYNGAATMODDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O.H3N.H2O/c8-6-7-4-2-1-3-5-7;;/h1-5,8H,6H2;1H3;1H2.
What are the key properties of azanium;phenylmethanol;hydroxide?
azanium;phenylmethanol;hydroxide has a molecular weight of 143.19 g/mol, XLogP of 1.38, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;phenylmethanol;hydroxide is sourced from PubChem (CID 70634097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).