lithium;hydride;N-(4-hydroxyphenyl)acetamide;hexahydrate

C8H22LiNO8 — CID 173295896

IUPAClithium;hydride;N-(4-hydroxyphenyl)acetamide;hexahydrate
SMILESCC(=O)Nc1ccc(O)cc1.O.O.O.O.O.O.[H-].[Li+]
InChIInChI=1S/C8H9NO2.Li.6H2O.H/c1-6(10)9-7-2-4-8(11)5-3-7;;;;;;;;/h2-5,11H,1H3,(H,9,10);;6*1H2;/q;+1;;;;;;;-1
InChIKeyHDRJUAVLULYJBX-UHFFFAOYSA-N
MW267.20 g/mol
LogP-6.48
Rot. Bonds1

About lithium;hydride;N-(4-hydroxyphenyl)acetamide;hexahydrate

lithium;hydride;N-(4-hydroxyphenyl)acetamide;hexahydrate (PubChem CID 173295896) has the molecular formula C8H22LiNO8 and a molecular weight of 267.20 g/mol. Its IUPAC name is lithium;hydride;N-(4-hydroxyphenyl)acetamide;hexahydrate.

Molecular Properties

Compound Namelithium;hydride;N-(4-hydroxyphenyl)acetamide;hexahydrate
PubChem CID173295896
Molecular FormulaC8H22LiNO8
Molecular Weight267.20 g/mol
Exact Mass267.15
IUPAC Namelithium;hydride;N-(4-hydroxyphenyl)acetamide;hexahydrate
SMILESCC(=O)Nc1ccc(O)cc1.O.O.O.O.O.O.[H-].[Li+]
InChIInChI=1S/C8H9NO2.Li.6H2O.H/c1-6(10)9-7-2-4-8(11)5-3-7;;;;;;;;/h2-5,11H,1H3,(H,9,10);;6*1H2;/q;+1;;;;;;;-1
InChIKeyHDRJUAVLULYJBX-UHFFFAOYSA-N
XLogP-6.48
TPSA238.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.20
LogP ≤ 5-6.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hydroxyphenyl)acetamide;dihydrate
CID 140999210
N-(4-hydroxyphenyl)acetamide;iron
CID 69304461
bis(N-(4-hydroxyphenyl)acetamide);zirconium(2+);dichloride
CID 174353959
N-(4-hydroxyphenyl)acetamide;N-phenylacetamide
CID 174809741
N-[4-(4-hydroxybenzoyl)phenyl]acetamide
CID 91710939
N-(4-hydroxyphenyl)acetamide;piperazine
CID 67107882
N-[4-[4-[(4-hydroxyphenyl)diazenyl]phenyl]phenyl]acetamide
CID 137186099
bis(N-(4-hydroxyphenyl)acetamide);morpholine
CID 86210685
N-(4-methylphenyl)acetamide
CID 7684
N-[4-(3,5-dihydroxyanilino)phenyl]acetamide
CID 139679971
N-(4-iodophenyl)acetamide
CID 12147
N-phenylacetamide
CID 101272191

Frequently Asked Questions

What is the IUPAC name of lithium;hydride;N-(4-hydroxyphenyl)acetamide;hexahydrate?
The IUPAC name of lithium;hydride;N-(4-hydroxyphenyl)acetamide;hexahydrate (CID 173295896) is lithium;hydride;N-(4-hydroxyphenyl)acetamide;hexahydrate.
What is the SMILES notation for lithium;hydride;N-(4-hydroxyphenyl)acetamide;hexahydrate?
The canonical SMILES for lithium;hydride;N-(4-hydroxyphenyl)acetamide;hexahydrate is CC(=O)Nc1ccc(O)cc1.O.O.O.O.O.O.[H-].[Li+].
What is the InChIKey of lithium;hydride;N-(4-hydroxyphenyl)acetamide;hexahydrate?
The InChIKey is HDRJUAVLULYJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2.Li.6H2O.H/c1-6(10)9-7-2-4-8(11)5-3-7;;;;;;;;/h2-5,11H,1H3,(H,9,10);;6*1H2;/q;+1;;;;;;;-1.
What are the key properties of lithium;hydride;N-(4-hydroxyphenyl)acetamide;hexahydrate?
lithium;hydride;N-(4-hydroxyphenyl)acetamide;hexahydrate has a molecular weight of 267.20 g/mol, XLogP of -6.48, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;hydride;N-(4-hydroxyphenyl)acetamide;hexahydrate is sourced from PubChem (CID 173295896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).