3-(1H-indol-3-yl)propyl dihydrogen phosphate

C11H14NO4P — CID 3713

IUPAC3-(1H-indol-3-yl)propyl dihydrogen phosphate
SMILESO=P(O)(O)OCCCc1c[nH]c2ccccc12
InChIInChI=1S/C11H14NO4P/c13-17(14,15)16-7-3-4-9-8-12-11-6-2-1-5-10(9)11/h1-2,5-6,8,12H,3-4,7H2,(H2,13,14,15)
InChIKeyNKEZSFZOUIIZFL-UHFFFAOYSA-N
MW255.21 g/mol
LogP2.21
Rot. Bonds5

About 3-(1H-indol-3-yl)propyl dihydrogen phosphate

3-(1H-indol-3-yl)propyl dihydrogen phosphate (PubChem CID 3713) has the molecular formula C11H14NO4P and a molecular weight of 255.21 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)propyl dihydrogen phosphate.

Molecular Properties

Compound Name3-(1H-indol-3-yl)propyl dihydrogen phosphate
PubChem CID3713
Molecular FormulaC11H14NO4P
Molecular Weight255.21 g/mol
Exact Mass255.07
IUPAC Name3-(1H-indol-3-yl)propyl dihydrogen phosphate
SMILESO=P(O)(O)OCCCc1c[nH]c2ccccc12
InChIInChI=1S/C11H14NO4P/c13-17(14,15)16-7-3-4-9-8-12-11-6-2-1-5-10(9)11/h1-2,5-6,8,12H,3-4,7H2,(H2,13,14,15)
InChIKeyNKEZSFZOUIIZFL-UHFFFAOYSA-N
XLogP2.21
TPSA82.55 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.21
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
hydroxy-[2-(1H-indol-3-yl)ethoxy]-oxoazanium
CID 165088178
3-(1H-indol-3-yl)propyl 2,2,2-trichloroacetate
CID 15174890
3-(1H-indol-3-yl)propylazanium chloride
CID 28988
4-(1H-indol-3-yl)butanamide
CID 588715
O-[3-(1H-indol-3-yl)propyl] methylsulfanylmethanethioate
CID 66552374
disodium;hydride;4-(1H-indol-3-yl)butanoic acid
CID 174726095
1-hydroxy-11-(1H-indol-3-yl)undecane-2,8-dione
CID 58248576
3-heptyl-1H-indole
CID 15360907
8-(1H-indol-3-yl)octan-1-amine
CID 57188115
3-(1H-indol-3-yl)propane-1,1-diol
CID 22219738
6-(1H-indol-3-yl)hexan-3-one
CID 58575746

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)propyl dihydrogen phosphate?
The IUPAC name of 3-(1H-indol-3-yl)propyl dihydrogen phosphate (CID 3713) is 3-(1H-indol-3-yl)propyl dihydrogen phosphate.
What is the SMILES notation for 3-(1H-indol-3-yl)propyl dihydrogen phosphate?
The canonical SMILES for 3-(1H-indol-3-yl)propyl dihydrogen phosphate is O=P(O)(O)OCCCc1c[nH]c2ccccc12.
What is the InChIKey of 3-(1H-indol-3-yl)propyl dihydrogen phosphate?
The InChIKey is NKEZSFZOUIIZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14NO4P/c13-17(14,15)16-7-3-4-9-8-12-11-6-2-1-5-10(9)11/h1-2,5-6,8,12H,3-4,7H2,(H2,13,14,15).
What are the key properties of 3-(1H-indol-3-yl)propyl dihydrogen phosphate?
3-(1H-indol-3-yl)propyl dihydrogen phosphate has a molecular weight of 255.21 g/mol, XLogP of 2.21, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)propyl dihydrogen phosphate is sourced from PubChem (CID 3713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).