(E)-1-bis(phenylmethoxy)phosphoryl-3-phenylprop-2-en-1-ol

C23H23O4P — CID 5470783

IUPAC(E)-1-bis(phenylmethoxy)phosphoryl-3-phenylprop-2-en-1-ol
SMILESO=P(OCc1ccccc1)(OCc1ccccc1)C(O)/C=C/c1ccccc1
InChIInChI=1S/C23H23O4P/c24-23(17-16-20-10-4-1-5-11-20)28(25,26-18-21-12-6-2-7-13-21)27-19-22-14-8-3-9-15-22/h1-17,23-24H,18-19H2/b17-16+
InChIKeyMGLUCCMWNDVKBN-WUKNDPDISA-N
MW394.41 g/mol
LogP5.64
Rot. Bonds9

About (E)-1-bis(phenylmethoxy)phosphoryl-3-phenylprop-2-en-1-ol

(E)-1-bis(phenylmethoxy)phosphoryl-3-phenylprop-2-en-1-ol (PubChem CID 5470783) has the molecular formula C23H23O4P and a molecular weight of 394.41 g/mol. Its IUPAC name is (E)-1-bis(phenylmethoxy)phosphoryl-3-phenylprop-2-en-1-ol.

Molecular Properties

Compound Name(E)-1-bis(phenylmethoxy)phosphoryl-3-phenylprop-2-en-1-ol
PubChem CID5470783
Molecular FormulaC23H23O4P
Molecular Weight394.41 g/mol
Exact Mass394.13
IUPAC Name(E)-1-bis(phenylmethoxy)phosphoryl-3-phenylprop-2-en-1-ol
SMILESO=P(OCc1ccccc1)(OCc1ccccc1)C(O)/C=C/c1ccccc1
InChIInChI=1S/C23H23O4P/c24-23(17-16-20-10-4-1-5-11-20)28(25,26-18-21-12-6-2-7-13-21)27-19-22-14-8-3-9-15-22/h1-17,23-24H,18-19H2/b17-16+
InChIKeyMGLUCCMWNDVKBN-WUKNDPDISA-N
XLogP5.64
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.41
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-1-bis(phenylmethoxy)phosphoryl-3-phenylprop-2-en-1-ol 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

1-diethoxyphosphoryl-3-phenylprop-2-en-1-ol
CID 71366492
(E,1S)-1-diethoxyphosphoryl-3-phenylprop-2-en-1-ol
CID 12543687
[(E,1S)-1-hydroxy-3-phenylprop-2-enyl]phosphonic acid
CID 11106709
benzyl (E,2S,3S)-3-hydroxy-2-methyl-5-phenylpent-4-enoate
CID 134904469
[phenylmethoxy(2,2,4,4-tetramethylpentan-3-yl)phosphoryl]oxymethylbenzene
CID 173485287
benzyl tert-butyl hydrogen phosphate
CID 140989025
(1E,3R,5S,6E)-1,7-diphenylhepta-1,6-diene-3,5-diol
CID 122402908
dibenzyl hydrogen phosphate;silver
CID 85301331
N-[1-bis(phenylmethoxy)phosphoryl-2,2-dimethylpropyl]-N-tert-butylhydroxylamine
CID 22041931
(1S)-1-bis(phenylmethoxy)phosphoryl-2-methylpropan-1-amine
CID 134924285
4-oxo-5-phenyl-2-(2-phenylethenyl)pentanoic acid
CID 174386982
[hydroxy(phenylmethoxy)phosphoryl]phosphonic acid
CID 87473581

Frequently Asked Questions

What is the IUPAC name of (E)-1-bis(phenylmethoxy)phosphoryl-3-phenylprop-2-en-1-ol?
The IUPAC name of (E)-1-bis(phenylmethoxy)phosphoryl-3-phenylprop-2-en-1-ol (CID 5470783) is (E)-1-bis(phenylmethoxy)phosphoryl-3-phenylprop-2-en-1-ol.
What is the SMILES notation for (E)-1-bis(phenylmethoxy)phosphoryl-3-phenylprop-2-en-1-ol?
The canonical SMILES for (E)-1-bis(phenylmethoxy)phosphoryl-3-phenylprop-2-en-1-ol is O=P(OCc1ccccc1)(OCc1ccccc1)C(O)/C=C/c1ccccc1.
What is the InChIKey of (E)-1-bis(phenylmethoxy)phosphoryl-3-phenylprop-2-en-1-ol?
The InChIKey is MGLUCCMWNDVKBN-WUKNDPDISA-N. The full InChI is InChI=1S/C23H23O4P/c24-23(17-16-20-10-4-1-5-11-20)28(25,26-18-21-12-6-2-7-13-21)27-19-22-14-8-3-9-15-22/h1-17,23-24H,18-19H2/b17-16+.
What are the key properties of (E)-1-bis(phenylmethoxy)phosphoryl-3-phenylprop-2-en-1-ol?
(E)-1-bis(phenylmethoxy)phosphoryl-3-phenylprop-2-en-1-ol has a molecular weight of 394.41 g/mol, XLogP of 5.64, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-bis(phenylmethoxy)phosphoryl-3-phenylprop-2-en-1-ol is sourced from PubChem (CID 5470783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).