2-[(2-methyl-1H-indol-5-yl)oxy]ethyl dihydrogen phosphate

C11H14NO5P — CID 59303242

IUPAC2-[(2-methyl-1H-indol-5-yl)oxy]ethyl dihydrogen phosphate
SMILESCc1cc2cc(OCCOP(=O)(O)O)ccc2[nH]1
InChIInChI=1S/C11H14NO5P/c1-8-6-9-7-10(2-3-11(9)12-8)16-4-5-17-18(13,14)15/h2-3,6-7,12H,4-5H2,1H3,(H2,13,14,15)
InChIKeyUYMATLQFOINYFY-UHFFFAOYSA-N
MW271.21 g/mol
LogP1.96
Rot. Bonds5

About 2-[(2-methyl-1H-indol-5-yl)oxy]ethyl dihydrogen phosphate

2-[(2-methyl-1H-indol-5-yl)oxy]ethyl dihydrogen phosphate (PubChem CID 59303242) has the molecular formula C11H14NO5P and a molecular weight of 271.21 g/mol. Its IUPAC name is 2-[(2-methyl-1H-indol-5-yl)oxy]ethyl dihydrogen phosphate.

Molecular Properties

Compound Name2-[(2-methyl-1H-indol-5-yl)oxy]ethyl dihydrogen phosphate
PubChem CID59303242
Molecular FormulaC11H14NO5P
Molecular Weight271.21 g/mol
Exact Mass271.06
IUPAC Name2-[(2-methyl-1H-indol-5-yl)oxy]ethyl dihydrogen phosphate
SMILESCc1cc2cc(OCCOP(=O)(O)O)ccc2[nH]1
InChIInChI=1S/C11H14NO5P/c1-8-6-9-7-10(2-3-11(9)12-8)16-4-5-17-18(13,14)15/h2-3,6-7,12H,4-5H2,1H3,(H2,13,14,15)
InChIKeyUYMATLQFOINYFY-UHFFFAOYSA-N
XLogP1.96
TPSA91.78 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.21
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(2-methyl-1H-indol-5-yl)oxy]ethyl dihydrogen phosphate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1H-indol-5-yl)oxy]ethyl dihydrogen phosphate?
The IUPAC name of 2-[(2-methyl-1H-indol-5-yl)oxy]ethyl dihydrogen phosphate (CID 59303242) is 2-[(2-methyl-1H-indol-5-yl)oxy]ethyl dihydrogen phosphate.
What is the SMILES notation for 2-[(2-methyl-1H-indol-5-yl)oxy]ethyl dihydrogen phosphate?
The canonical SMILES for 2-[(2-methyl-1H-indol-5-yl)oxy]ethyl dihydrogen phosphate is Cc1cc2cc(OCCOP(=O)(O)O)ccc2[nH]1.
What is the InChIKey of 2-[(2-methyl-1H-indol-5-yl)oxy]ethyl dihydrogen phosphate?
The InChIKey is UYMATLQFOINYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14NO5P/c1-8-6-9-7-10(2-3-11(9)12-8)16-4-5-17-18(13,14)15/h2-3,6-7,12H,4-5H2,1H3,(H2,13,14,15).
What are the key properties of 2-[(2-methyl-1H-indol-5-yl)oxy]ethyl dihydrogen phosphate?
2-[(2-methyl-1H-indol-5-yl)oxy]ethyl dihydrogen phosphate has a molecular weight of 271.21 g/mol, XLogP of 1.96, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1H-indol-5-yl)oxy]ethyl dihydrogen phosphate is sourced from PubChem (CID 59303242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).