2-(1H-indol-5-yl)ethylperoxyphosphinous acid

C10H12NO3P — CID 163564791

IUPAC2-(1H-indol-5-yl)ethylperoxyphosphinous acid
SMILESOPOOCCc1ccc2[nH]ccc2c1
InChIInChI=1S/C10H12NO3P/c12-15-14-13-6-4-8-1-2-10-9(7-8)3-5-11-10/h1-3,5,7,11-12,15H,4,6H2
InChIKeyYRTJIZFZMHHKFD-UHFFFAOYSA-N
MW225.18 g/mol
LogP2.16
Rot. Bonds5

About 2-(1H-indol-5-yl)ethylperoxyphosphinous acid

2-(1H-indol-5-yl)ethylperoxyphosphinous acid (PubChem CID 163564791) has the molecular formula C10H12NO3P and a molecular weight of 225.18 g/mol. Its IUPAC name is 2-(1H-indol-5-yl)ethylperoxyphosphinous acid.

Molecular Properties

Compound Name2-(1H-indol-5-yl)ethylperoxyphosphinous acid
PubChem CID163564791
Molecular FormulaC10H12NO3P
Molecular Weight225.18 g/mol
Exact Mass225.06
IUPAC Name2-(1H-indol-5-yl)ethylperoxyphosphinous acid
SMILESOPOOCCc1ccc2[nH]ccc2c1
InChIInChI=1S/C10H12NO3P/c12-15-14-13-6-4-8-1-2-10-9(7-8)3-5-11-10/h1-3,5,7,11-12,15H,4,6H2
InChIKeyYRTJIZFZMHHKFD-UHFFFAOYSA-N
XLogP2.16
TPSA54.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.18
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 2-(1H-indol-5-yl)ethylperoxyphosphinous acid 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

4-[4-[2-(1H-indol-5-yl)ethoxy]phenyl]butan-2-one
CID 175853816
2-(1H-indol-5-yl)-N-methylethanamine
CID 82374641
ethyl 3-(1H-indol-5-yl)propanoate
CID 73357468
5-[2-(3,4,5-trimethoxyphenyl)ethyl]-1H-indole
CID 66726497
1-(1H-indol-5-yl)-4-methylpentan-3-one
CID 22572822
5-pent-3-enyl-1H-indole
CID 54525376
5-(4-methylpentyl)-1H-indole
CID 143660626
2-(1H-indol-5-ylmethoxy)ethanamine
CID 154379316
1-(1H-indol-5-yl)-2-methylpropan-2-ol
CID 117119070
methyl 2-(1H-indol-5-yl)acetate
CID 43831379
5-(2-pyridin-4-ylethoxy)-1H-indole
CID 80643578
5-[(4-chlorophenyl)methyl]-1H-indole
CID 22417702

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-5-yl)ethylperoxyphosphinous acid?
The IUPAC name of 2-(1H-indol-5-yl)ethylperoxyphosphinous acid (CID 163564791) is 2-(1H-indol-5-yl)ethylperoxyphosphinous acid.
What is the SMILES notation for 2-(1H-indol-5-yl)ethylperoxyphosphinous acid?
The canonical SMILES for 2-(1H-indol-5-yl)ethylperoxyphosphinous acid is OPOOCCc1ccc2[nH]ccc2c1.
What is the InChIKey of 2-(1H-indol-5-yl)ethylperoxyphosphinous acid?
The InChIKey is YRTJIZFZMHHKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12NO3P/c12-15-14-13-6-4-8-1-2-10-9(7-8)3-5-11-10/h1-3,5,7,11-12,15H,4,6H2.
What are the key properties of 2-(1H-indol-5-yl)ethylperoxyphosphinous acid?
2-(1H-indol-5-yl)ethylperoxyphosphinous acid has a molecular weight of 225.18 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-5-yl)ethylperoxyphosphinous acid is sourced from PubChem (CID 163564791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).