lithium;hydride;2-phenylacetaldehyde

C8H9LiO — CID 173089556

IUPAClithium;hydride;2-phenylacetaldehyde
SMILESO=CCc1ccccc1.[H-].[Li+]
InChIInChI=1S/C8H8O.Li.H/c9-7-6-8-4-2-1-3-5-8;;/h1-5,7H,6H2;;/q;+1;-1
InChIKeyYTPHBUWZTQPPIK-UHFFFAOYSA-N
MW128.10 g/mol
LogP-1.46
Rot. Bonds2

About lithium;hydride;2-phenylacetaldehyde

lithium;hydride;2-phenylacetaldehyde (PubChem CID 173089556) has the molecular formula C8H9LiO and a molecular weight of 128.10 g/mol. Its IUPAC name is lithium;hydride;2-phenylacetaldehyde.

Molecular Properties

Compound Namelithium;hydride;2-phenylacetaldehyde
PubChem CID173089556
Molecular FormulaC8H9LiO
Molecular Weight128.10 g/mol
Exact Mass128.08
IUPAC Namelithium;hydride;2-phenylacetaldehyde
SMILESO=CCc1ccccc1.[H-].[Li+]
InChIInChI=1S/C8H8O.Li.H/c9-7-6-8-4-2-1-3-5-8;;/h1-5,7H,6H2;;/q;+1;-1
InChIKeyYTPHBUWZTQPPIK-UHFFFAOYSA-N
XLogP-1.46
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.10
LogP ≤ 5-1.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethylmethanamine;2-phenylacetaldehyde
CID 87974312
N-methylmethanamine;2-phenylacetaldehyde
CID 175168726
butanal;2-phenylacetaldehyde
CID 161135702
methyl hydrogen carbonate;2-phenylacetaldehyde
CID 175092622
2-phenylacetaldehyde;pyrrolidine
CID 23356706
sodium;hydrogen sulfite;2-phenylacetaldehyde
CID 158174517
ethane;2-[4-(2-oxoethyl)phenyl]acetaldehyde
CID 90946532
morpholine;2-phenylacetaldehyde
CID 174954462
2-benzyl-3-phenylpropanoate;2-phenylacetaldehyde
CID 21117113
N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;2-phenylacetaldehyde
CID 155712860
prop-2-enylbenzene
CID 159998516
lithium;benzylbenzene;hydride;isocyanic acid
CID 173310633

Frequently Asked Questions

What is the IUPAC name of lithium;hydride;2-phenylacetaldehyde?
The IUPAC name of lithium;hydride;2-phenylacetaldehyde (CID 173089556) is lithium;hydride;2-phenylacetaldehyde.
What is the SMILES notation for lithium;hydride;2-phenylacetaldehyde?
The canonical SMILES for lithium;hydride;2-phenylacetaldehyde is O=CCc1ccccc1.[H-].[Li+].
What is the InChIKey of lithium;hydride;2-phenylacetaldehyde?
The InChIKey is YTPHBUWZTQPPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O.Li.H/c9-7-6-8-4-2-1-3-5-8;;/h1-5,7H,6H2;;/q;+1;-1.
What are the key properties of lithium;hydride;2-phenylacetaldehyde?
lithium;hydride;2-phenylacetaldehyde has a molecular weight of 128.10 g/mol, XLogP of -1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;hydride;2-phenylacetaldehyde is sourced from PubChem (CID 173089556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).