lithium;hydride;2-(2-propoxyphenyl)acetaldehyde

C11H15LiO2 — CID 173143571

IUPAClithium;hydride;2-(2-propoxyphenyl)acetaldehyde
SMILESCCCOc1ccccc1CC=O.[H-].[Li+]
InChIInChI=1S/C11H14O2.Li.H/c1-2-9-13-11-6-4-3-5-10(11)7-8-12;;/h3-6,8H,2,7,9H2,1H3;;/q;+1;-1
InChIKeyMJBPISSLGXIREQ-UHFFFAOYSA-N
MW186.18 g/mol
LogP-0.67
Rot. Bonds5

About lithium;hydride;2-(2-propoxyphenyl)acetaldehyde

lithium;hydride;2-(2-propoxyphenyl)acetaldehyde (PubChem CID 173143571) has the molecular formula C11H15LiO2 and a molecular weight of 186.18 g/mol. Its IUPAC name is lithium;hydride;2-(2-propoxyphenyl)acetaldehyde.

Molecular Properties

Compound Namelithium;hydride;2-(2-propoxyphenyl)acetaldehyde
PubChem CID173143571
Molecular FormulaC11H15LiO2
Molecular Weight186.18 g/mol
Exact Mass186.12
IUPAC Namelithium;hydride;2-(2-propoxyphenyl)acetaldehyde
SMILESCCCOc1ccccc1CC=O.[H-].[Li+]
InChIInChI=1S/C11H14O2.Li.H/c1-2-9-13-11-6-4-3-5-10(11)7-8-12;;/h3-6,8H,2,7,9H2,1H3;;/q;+1;-1
InChIKeyMJBPISSLGXIREQ-UHFFFAOYSA-N
XLogP-0.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.18
LogP ≤ 5-0.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze lithium;hydride;2-(2-propoxyphenyl)acetaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(bromomethyl)-2-propoxybenzene
CID 43141572
2-(2-butoxy-5-fluorophenyl)acetaldehyde
CID 122648996
1-(2-methylpropyl)-2-propoxybenzene
CID 54411248
ethane;1-ethoxy-2-propoxybenzene;formic acid
CID 142473049
1-propoxy-2-[3-[3-(2-propoxyphenyl)propoxy]propyl]benzene
CID 141096936
1-ethyl-2-heptoxybenzene
CID 22723794
2-[2-[(4-tert-butylphenyl)methoxy]phenyl]acetaldehyde;ethane
CID 144777042
N-[2-(2-ethylphenoxy)ethyl]propan-1-amine
CID 43364346
(2-ethylphenyl)-(2-propoxyphenyl)methanamine
CID 105035937
N-[(2-propoxyphenyl)methyl]hexan-1-amine
CID 29221808
1-ethyl-2-(2-propylsulfonylethoxy)benzene
CID 106732626
4,4-dimethyl-1-(2-propoxyphenyl)pentan-3-one
CID 113438515

Frequently Asked Questions

What is the IUPAC name of lithium;hydride;2-(2-propoxyphenyl)acetaldehyde?
The IUPAC name of lithium;hydride;2-(2-propoxyphenyl)acetaldehyde (CID 173143571) is lithium;hydride;2-(2-propoxyphenyl)acetaldehyde.
What is the SMILES notation for lithium;hydride;2-(2-propoxyphenyl)acetaldehyde?
The canonical SMILES for lithium;hydride;2-(2-propoxyphenyl)acetaldehyde is CCCOc1ccccc1CC=O.[H-].[Li+].
What is the InChIKey of lithium;hydride;2-(2-propoxyphenyl)acetaldehyde?
The InChIKey is MJBPISSLGXIREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2.Li.H/c1-2-9-13-11-6-4-3-5-10(11)7-8-12;;/h3-6,8H,2,7,9H2,1H3;;/q;+1;-1.
What are the key properties of lithium;hydride;2-(2-propoxyphenyl)acetaldehyde?
lithium;hydride;2-(2-propoxyphenyl)acetaldehyde has a molecular weight of 186.18 g/mol, XLogP of -0.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;hydride;2-(2-propoxyphenyl)acetaldehyde is sourced from PubChem (CID 173143571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).