2-aminoethanol;tris(2-phenylethenyl) phosphate

C26H28NO5P — CID 159729962

IUPAC2-aminoethanol;tris(2-phenylethenyl) phosphate
SMILESNCCO.O=P(OC=Cc1ccccc1)(OC=Cc1ccccc1)OC=Cc1ccccc1
InChIInChI=1S/C24H21O4P.C2H7NO/c25-29(26-19-16-22-10-4-1-5-11-22,27-20-17-23-12-6-2-7-13-23)28-21-18-24-14-8-3-9-15-24;3-1-2-4/h1-21H;4H,1-3H2
InChIKeyNBCPEMLLCFPTBF-UHFFFAOYSA-N
MW465.49 g/mol
LogP6.09
Rot. Bonds10

About 2-aminoethanol;tris(2-phenylethenyl) phosphate

2-aminoethanol;tris(2-phenylethenyl) phosphate (PubChem CID 159729962) has the molecular formula C26H28NO5P and a molecular weight of 465.49 g/mol. Its IUPAC name is 2-aminoethanol;tris(2-phenylethenyl) phosphate.

Molecular Properties

Compound Name2-aminoethanol;tris(2-phenylethenyl) phosphate
PubChem CID159729962
Molecular FormulaC26H28NO5P
Molecular Weight465.49 g/mol
Exact Mass465.17
IUPAC Name2-aminoethanol;tris(2-phenylethenyl) phosphate
SMILESNCCO.O=P(OC=Cc1ccccc1)(OC=Cc1ccccc1)OC=Cc1ccccc1
InChIInChI=1S/C24H21O4P.C2H7NO/c25-29(26-19-16-22-10-4-1-5-11-22,27-20-17-23-12-6-2-7-13-23)28-21-18-24-14-8-3-9-15-24;3-1-2-4/h1-21H;4H,1-3H2
InChIKeyNBCPEMLLCFPTBF-UHFFFAOYSA-N
XLogP6.09
TPSA91.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.49
LogP ≤ 56.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 2-aminoethanol;tris(2-phenylethenyl) phosphate 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

2-phenylethenyl 3-hydroxypropanoate
CID 174401435
ethane-1,2-diamine;(E)-3-phenylprop-2-enoic acid
CID 141192681
2-phenylethenyl 2,3-dihydroxypropanoate
CID 141412154
3-oxo-3-(2-phenylethenoxy)propanoic acid
CID 89421619
ethenyl(trimethoxy)silane;2-phenylethenyl dihydrogen phosphate
CID 174774176
ethane-1,2-diol;(Z)-3-phenylprop-2-enal
CID 155351611
[(E,1S)-1-amino-3-phenylprop-2-enyl]phosphonic acid
CID 71653547
3-phenylprop-2-enoyloxymethylphosphonic acid
CID 123586829
oxo-bis[(E)-2-phenylethenoxy]phosphanium
CID 18676604
oxo-bis(2-phenylethenoxy)phosphanium
CID 57163740
2-O-amino 1-O-(2-phenylethenyl) oxalate
CID 174927397
2-(3-phenylprop-2-enoyloxy)acetic acid
CID 54392103

Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;tris(2-phenylethenyl) phosphate?
The IUPAC name of 2-aminoethanol;tris(2-phenylethenyl) phosphate (CID 159729962) is 2-aminoethanol;tris(2-phenylethenyl) phosphate.
What is the SMILES notation for 2-aminoethanol;tris(2-phenylethenyl) phosphate?
The canonical SMILES for 2-aminoethanol;tris(2-phenylethenyl) phosphate is NCCO.O=P(OC=Cc1ccccc1)(OC=Cc1ccccc1)OC=Cc1ccccc1.
What is the InChIKey of 2-aminoethanol;tris(2-phenylethenyl) phosphate?
The InChIKey is NBCPEMLLCFPTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21O4P.C2H7NO/c25-29(26-19-16-22-10-4-1-5-11-22,27-20-17-23-12-6-2-7-13-23)28-21-18-24-14-8-3-9-15-24;3-1-2-4/h1-21H;4H,1-3H2.
What are the key properties of 2-aminoethanol;tris(2-phenylethenyl) phosphate?
2-aminoethanol;tris(2-phenylethenyl) phosphate has a molecular weight of 465.49 g/mol, XLogP of 6.09, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;tris(2-phenylethenyl) phosphate is sourced from PubChem (CID 159729962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).