2-[4-[hydroxy(phenylmethoxy)phosphoryl]oxy-1H-indol-3-yl]ethyl-dimethylazanium

C19H24N2O4P+ — CID 147653836

IUPAC2-[4-[hydroxy(phenylmethoxy)phosphoryl]oxy-1H-indol-3-yl]ethyl-dimethylazanium
SMILESC[NH+](C)CCc1c[nH]c2cccc(OP(=O)(O)OCc3ccccc3)c12
InChIInChI=1S/C19H23N2O4P/c1-21(2)12-11-16-13-20-17-9-6-10-18(19(16)17)25-26(22,23)24-14-15-7-4-3-5-8-15/h3-10,13,20H,11-12,14H2,1-2H3,(H,22,23)/p+1
InChIKeyGKAIYZRUCXEQSP-UHFFFAOYSA-O
MW375.39 g/mol
LogP2.55
Rot. Bonds8

About 2-[4-[hydroxy(phenylmethoxy)phosphoryl]oxy-1H-indol-3-yl]ethyl-dimethylazanium

2-[4-[hydroxy(phenylmethoxy)phosphoryl]oxy-1H-indol-3-yl]ethyl-dimethylazanium (PubChem CID 147653836) has the molecular formula C19H24N2O4P+ and a molecular weight of 375.39 g/mol. Its IUPAC name is 2-[4-[hydroxy(phenylmethoxy)phosphoryl]oxy-1H-indol-3-yl]ethyl-dimethylazanium.

Molecular Properties

Compound Name2-[4-[hydroxy(phenylmethoxy)phosphoryl]oxy-1H-indol-3-yl]ethyl-dimethylazanium
PubChem CID147653836
Molecular FormulaC19H24N2O4P+
Molecular Weight375.39 g/mol
Exact Mass375.15
IUPAC Name2-[4-[hydroxy(phenylmethoxy)phosphoryl]oxy-1H-indol-3-yl]ethyl-dimethylazanium
SMILESC[NH+](C)CCc1c[nH]c2cccc(OP(=O)(O)OCc3ccccc3)c12
InChIInChI=1S/C19H23N2O4P/c1-21(2)12-11-16-13-20-17-9-6-10-18(19(16)17)25-26(22,23)24-14-15-7-4-3-5-8-15/h3-10,13,20H,11-12,14H2,1-2H3,(H,22,23)/p+1
InChIKeyGKAIYZRUCXEQSP-UHFFFAOYSA-O
XLogP2.55
TPSA75.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dimethyl-[2-(4-phosphonooxy-1H-indol-3-yl)ethyl]azanium
CID 160527949
2-[4-(benzyldisulfanyl)carbonyloxy-1H-indol-3-yl]ethyl-dimethylazanium
CID 176800426
dimethyl-[2-[4-(2,3,4,5,6-pentafluorobenzoyl)oxy-1H-indol-3-yl]ethyl]azanium
CID 176800447
bis[3-(2-pyrrolidin-1-ylethyl)-1H-indol-4-yl] hydrogen phosphate
CID 170759995
2-[4-[(2S)-2-amino-2-cyclopropylacetyl]oxy-1H-indol-3-yl]ethyl-dimethylazanium
CID 169186156
2-[4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-1H-indol-3-yl]ethyl-dimethylazanium;2,2,2-trifluoroacetate
CID 166128427
dimethyl-[2-[4-(3,4,5-trimethoxybenzoyl)oxy-1H-indol-3-yl]ethyl]azanium
CID 176800442
[3-[2-(2,4-dimethylazetidin-1-yl)ethyl]-1H-indol-4-yl] dihydrogen phosphate
CID 169286665
N-methyl-N-[2-(4-phenylmethoxy-1H-indol-3-yl)ethyl]propan-2-amine
CID 156852024
N-[2-(4-phenylmethoxy-1H-indol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine;hydrochloride
CID 24801934
[3-[2-(2,3-diethylazetidin-1-yl)ethyl]-1H-indol-4-yl] dihydrogen phosphate
CID 169286698
dibenzyl hydrogen phosphate;silver
CID 85301331

Frequently Asked Questions

What is the IUPAC name of 2-[4-[hydroxy(phenylmethoxy)phosphoryl]oxy-1H-indol-3-yl]ethyl-dimethylazanium?
The IUPAC name of 2-[4-[hydroxy(phenylmethoxy)phosphoryl]oxy-1H-indol-3-yl]ethyl-dimethylazanium (CID 147653836) is 2-[4-[hydroxy(phenylmethoxy)phosphoryl]oxy-1H-indol-3-yl]ethyl-dimethylazanium.
What is the SMILES notation for 2-[4-[hydroxy(phenylmethoxy)phosphoryl]oxy-1H-indol-3-yl]ethyl-dimethylazanium?
The canonical SMILES for 2-[4-[hydroxy(phenylmethoxy)phosphoryl]oxy-1H-indol-3-yl]ethyl-dimethylazanium is C[NH+](C)CCc1c[nH]c2cccc(OP(=O)(O)OCc3ccccc3)c12.
What is the InChIKey of 2-[4-[hydroxy(phenylmethoxy)phosphoryl]oxy-1H-indol-3-yl]ethyl-dimethylazanium?
The InChIKey is GKAIYZRUCXEQSP-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H23N2O4P/c1-21(2)12-11-16-13-20-17-9-6-10-18(19(16)17)25-26(22,23)24-14-15-7-4-3-5-8-15/h3-10,13,20H,11-12,14H2,1-2H3,(H,22,23)/p+1.
What are the key properties of 2-[4-[hydroxy(phenylmethoxy)phosphoryl]oxy-1H-indol-3-yl]ethyl-dimethylazanium?
2-[4-[hydroxy(phenylmethoxy)phosphoryl]oxy-1H-indol-3-yl]ethyl-dimethylazanium has a molecular weight of 375.39 g/mol, XLogP of 2.55, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[hydroxy(phenylmethoxy)phosphoryl]oxy-1H-indol-3-yl]ethyl-dimethylazanium is sourced from PubChem (CID 147653836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).