[(E,1S)-1-[[(E,1S)-1-acetyloxy-3-phenylprop-2-enyl]-methoxyphosphoryl]-3-phenylprop-2-enyl] acetate

C23H25O6P — CID 15447341

IUPAC[(E,1S)-1-[[(E,1S)-1-acetyloxy-3-phenylprop-2-enyl]-methoxyphosphoryl]-3-phenylprop-2-enyl] acetate
SMILESCOP(=O)([C@@H](/C=C/c1ccccc1)OC(C)=O)[C@@H](/C=C/c1ccccc1)OC(C)=O
InChIInChI=1S/C23H25O6P/c1-18(24)28-22(16-14-20-10-6-4-7-11-20)30(26,27-3)23(29-19(2)25)17-15-21-12-8-5-9-13-21/h4-17,22-23H,1-3H3/b16-14+,17-15+/t22-,23-/m0/s1
InChIKeyMBYGWPUVIDOROM-RPZXPXDNSA-N
MW428.42 g/mol
LogP5.12
Rot. Bonds9

About [(E,1S)-1-[[(E,1S)-1-acetyloxy-3-phenylprop-2-enyl]-methoxyphosphoryl]-3-phenylprop-2-enyl] acetate

[(E,1S)-1-[[(E,1S)-1-acetyloxy-3-phenylprop-2-enyl]-methoxyphosphoryl]-3-phenylprop-2-enyl] acetate (PubChem CID 15447341) has the molecular formula C23H25O6P and a molecular weight of 428.42 g/mol. Its IUPAC name is [(E,1S)-1-[[(E,1S)-1-acetyloxy-3-phenylprop-2-enyl]-methoxyphosphoryl]-3-phenylprop-2-enyl] acetate.

Molecular Properties

Compound Name[(E,1S)-1-[[(E,1S)-1-acetyloxy-3-phenylprop-2-enyl]-methoxyphosphoryl]-3-phenylprop-2-enyl] acetate
PubChem CID15447341
Molecular FormulaC23H25O6P
Molecular Weight428.42 g/mol
Exact Mass428.14
IUPAC Name[(E,1S)-1-[[(E,1S)-1-acetyloxy-3-phenylprop-2-enyl]-methoxyphosphoryl]-3-phenylprop-2-enyl] acetate
SMILESCOP(=O)([C@@H](/C=C/c1ccccc1)OC(C)=O)[C@@H](/C=C/c1ccccc1)OC(C)=O
InChIInChI=1S/C23H25O6P/c1-18(24)28-22(16-14-20-10-6-4-7-11-20)30(26,27-3)23(29-19(2)25)17-15-21-12-8-5-9-13-21/h4-17,22-23H,1-3H3/b16-14+,17-15+/t22-,23-/m0/s1
InChIKeyMBYGWPUVIDOROM-RPZXPXDNSA-N
XLogP5.12
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.42
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(E,1R)-1-dimethoxyphosphoryl-3-phenylprop-2-enyl] methyl carbonate
CID 71682922
[(E,2S)-1,1,1-trichloro-4-phenylbut-3-en-2-yl] acetate
CID 11808513
[(S)-[[(R)-acetyloxy(phenyl)methyl]-methoxyphosphoryl]-phenylmethyl] acetate
CID 15447334
[(E,3R)-5-oxo-1-phenylpent-1-en-3-yl] acetate
CID 54768294
[(E,1R)-1-(2-methylphenyl)-3-phenylprop-2-enyl] acetate
CID 118487629
[(E,1S)-1-(benzenesulfonyl)-3-phenylprop-2-enyl] acetate
CID 102182706
[(E,3R)-4,4-bis(benzenesulfonyl)-1-phenylpent-1-en-3-yl] acetate
CID 11488593
[1-(dimethylamino)-3-phenylprop-2-enyl] 2-methylprop-2-enoate
CID 57228939
(E)-2-methoxy-4-phenylbut-3-enoic acid
CID 11217749
[2,2,2-trichloro-1-[(E)-4-phenylbut-3-en-2-yl]oxyethyl] acetate
CID 101000329
(E)-5-dimethoxyphosphoryl-1-phenylpent-1-en-3-one
CID 10563799
ethyl (E,3S,4R)-3-acetyloxy-4-methyl-6-phenylhex-5-enoate
CID 11392142

Frequently Asked Questions

What is the IUPAC name of [(E,1S)-1-[[(E,1S)-1-acetyloxy-3-phenylprop-2-enyl]-methoxyphosphoryl]-3-phenylprop-2-enyl] acetate?
The IUPAC name of [(E,1S)-1-[[(E,1S)-1-acetyloxy-3-phenylprop-2-enyl]-methoxyphosphoryl]-3-phenylprop-2-enyl] acetate (CID 15447341) is [(E,1S)-1-[[(E,1S)-1-acetyloxy-3-phenylprop-2-enyl]-methoxyphosphoryl]-3-phenylprop-2-enyl] acetate.
What is the SMILES notation for [(E,1S)-1-[[(E,1S)-1-acetyloxy-3-phenylprop-2-enyl]-methoxyphosphoryl]-3-phenylprop-2-enyl] acetate?
The canonical SMILES for [(E,1S)-1-[[(E,1S)-1-acetyloxy-3-phenylprop-2-enyl]-methoxyphosphoryl]-3-phenylprop-2-enyl] acetate is COP(=O)([C@@H](/C=C/c1ccccc1)OC(C)=O)[C@@H](/C=C/c1ccccc1)OC(C)=O.
What is the InChIKey of [(E,1S)-1-[[(E,1S)-1-acetyloxy-3-phenylprop-2-enyl]-methoxyphosphoryl]-3-phenylprop-2-enyl] acetate?
The InChIKey is MBYGWPUVIDOROM-RPZXPXDNSA-N. The full InChI is InChI=1S/C23H25O6P/c1-18(24)28-22(16-14-20-10-6-4-7-11-20)30(26,27-3)23(29-19(2)25)17-15-21-12-8-5-9-13-21/h4-17,22-23H,1-3H3/b16-14+,17-15+/t22-,23-/m0/s1.
What are the key properties of [(E,1S)-1-[[(E,1S)-1-acetyloxy-3-phenylprop-2-enyl]-methoxyphosphoryl]-3-phenylprop-2-enyl] acetate?
[(E,1S)-1-[[(E,1S)-1-acetyloxy-3-phenylprop-2-enyl]-methoxyphosphoryl]-3-phenylprop-2-enyl] acetate has a molecular weight of 428.42 g/mol, XLogP of 5.12, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,1S)-1-[[(E,1S)-1-acetyloxy-3-phenylprop-2-enyl]-methoxyphosphoryl]-3-phenylprop-2-enyl] acetate is sourced from PubChem (CID 15447341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).