[(E)-1-(benzhydrylamino)-3-phenylprop-2-enyl]phosphonous acid

C22H22NO2P — CID 21325895

IUPAC[(E)-1-(benzhydrylamino)-3-phenylprop-2-enyl]phosphonous acid
SMILESOP(O)C(/C=C/c1ccccc1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22NO2P/c24-26(25)21(17-16-18-10-4-1-5-11-18)23-22(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17,21-25H/b17-16+
InChIKeyUIHYZVFYXLKAHW-WUKNDPDISA-N
MW363.40 g/mol
LogP4.70
Rot. Bonds7

About [(E)-1-(benzhydrylamino)-3-phenylprop-2-enyl]phosphonous acid

[(E)-1-(benzhydrylamino)-3-phenylprop-2-enyl]phosphonous acid (PubChem CID 21325895) has the molecular formula C22H22NO2P and a molecular weight of 363.40 g/mol. Its IUPAC name is [(E)-1-(benzhydrylamino)-3-phenylprop-2-enyl]phosphonous acid.

Molecular Properties

Compound Name[(E)-1-(benzhydrylamino)-3-phenylprop-2-enyl]phosphonous acid
PubChem CID21325895
Molecular FormulaC22H22NO2P
Molecular Weight363.40 g/mol
Exact Mass363.14
IUPAC Name[(E)-1-(benzhydrylamino)-3-phenylprop-2-enyl]phosphonous acid
SMILESOP(O)C(/C=C/c1ccccc1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22NO2P/c24-26(25)21(17-16-18-10-4-1-5-11-18)23-22(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17,21-25H/b17-16+
InChIKeyUIHYZVFYXLKAHW-WUKNDPDISA-N
XLogP4.70
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 54.70
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

1-(benzhydrylamino)ethylphosphonous acid
CID 21325890
(E)-5-(benzhydrylamino)-7-phenylhept-6-ene-1,2,3,4-tetrol
CID 20656192
(E,2S)-N-benzhydryl-2-hydroxy-4-phenylbut-3-enamide
CID 138982001
triphenyl-[(E)-2-phenylethenyl]phosphanium
CID 6332815
3-phenylprop-2-ene-1,1-diol
CID 54432533
1-chloro-2-[(E)-1,3-diphenylprop-2-enyl]benzene
CID 174797210
(2R)-2,4-diphenylbut-3-enoic acid
CID 3246496
4-(3,3-diphenylprop-1-enyl)phenol
CID 174315137
1-chloro-4-[(E,1R)-1,3-diphenylprop-2-enyl]benzene
CID 102471698
[1-(benzhydrylamino)-2-methylbutyl]phosphonous acid
CID 21325851
(Z,2R)-4-phenylbut-3-en-2-ol
CID 11457765
2-(benzhydrylamino)propan-1-ol
CID 43499566

Frequently Asked Questions

What is the IUPAC name of [(E)-1-(benzhydrylamino)-3-phenylprop-2-enyl]phosphonous acid?
The IUPAC name of [(E)-1-(benzhydrylamino)-3-phenylprop-2-enyl]phosphonous acid (CID 21325895) is [(E)-1-(benzhydrylamino)-3-phenylprop-2-enyl]phosphonous acid.
What is the SMILES notation for [(E)-1-(benzhydrylamino)-3-phenylprop-2-enyl]phosphonous acid?
The canonical SMILES for [(E)-1-(benzhydrylamino)-3-phenylprop-2-enyl]phosphonous acid is OP(O)C(/C=C/c1ccccc1)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of [(E)-1-(benzhydrylamino)-3-phenylprop-2-enyl]phosphonous acid?
The InChIKey is UIHYZVFYXLKAHW-WUKNDPDISA-N. The full InChI is InChI=1S/C22H22NO2P/c24-26(25)21(17-16-18-10-4-1-5-11-18)23-22(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17,21-25H/b17-16+.
What are the key properties of [(E)-1-(benzhydrylamino)-3-phenylprop-2-enyl]phosphonous acid?
[(E)-1-(benzhydrylamino)-3-phenylprop-2-enyl]phosphonous acid has a molecular weight of 363.40 g/mol, XLogP of 4.70, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-(benzhydrylamino)-3-phenylprop-2-enyl]phosphonous acid is sourced from PubChem (CID 21325895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).