2-[methoxy(phenyl)phosphoryl]prop-2-enoic acid

C10H11O4P — CID 15948085

IUPAC2-[methoxy(phenyl)phosphoryl]prop-2-enoic acid
SMILESC=C(C(=O)O)[P@](=O)(OC)c1ccccc1
InChIInChI=1S/C10H11O4P/c1-8(10(11)12)15(13,14-2)9-6-4-3-5-7-9/h3-7H,1H2,2H3,(H,11,12)/t15-/m0/s1
InChIKeyGTBYXPOWGGXEJG-HNNXBMFYSA-N
MW226.17 g/mol
LogP1.83
Rot. Bonds4

About 2-[methoxy(phenyl)phosphoryl]prop-2-enoic acid

2-[methoxy(phenyl)phosphoryl]prop-2-enoic acid (PubChem CID 15948085) has the molecular formula C10H11O4P and a molecular weight of 226.17 g/mol. Its IUPAC name is 2-[methoxy(phenyl)phosphoryl]prop-2-enoic acid.

Molecular Properties

Compound Name2-[methoxy(phenyl)phosphoryl]prop-2-enoic acid
PubChem CID15948085
Molecular FormulaC10H11O4P
Molecular Weight226.17 g/mol
Exact Mass226.04
IUPAC Name2-[methoxy(phenyl)phosphoryl]prop-2-enoic acid
SMILESC=C(C(=O)O)[P@](=O)(OC)c1ccccc1
InChIInChI=1S/C10H11O4P/c1-8(10(11)12)15(13,14-2)9-6-4-3-5-7-9/h3-7H,1H2,2H3,(H,11,12)/t15-/m0/s1
InChIKeyGTBYXPOWGGXEJG-HNNXBMFYSA-N
XLogP1.83
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.17
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-[methoxy(phenyl)phosphoryl]-2-phenylethanone
CID 86255472
methoxymethane;[methyl(phenyl)phosphoryl]benzene
CID 90840778
1-[methoxy(phenyl)phosphoryl]-2,2-dimethyl-3-phenylpropan-1-one
CID 19758093
[chloro(methoxy)phosphoryl]benzene;phosphoryl trichloride
CID 174937208
diphenylphosphorylbenzene;methyl N-(methoxycarbonylamino)carbamate
CID 139081479
ethane;methane;[methyl(phenyl)phosphoryl]benzene
CID 162150444
3-[methoxy(phenyl)phosphoryl]propanoic acid
CID 141176838
methyl(phenyl)phosphinic acid;zinc
CID 66618039
[3-fluoro-5-(trifluoromethyl)phenyl]-[methoxy(phenyl)phosphoryl]methanone
CID 166848332
[ethoxy(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone;[methoxy(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 161461233
[2-dimethoxyphosphorylethyl(phenyl)phosphoryl]benzene
CID 15362204
potassium methoxy(phenyl)phosphinate
CID 141246459

Frequently Asked Questions

What is the IUPAC name of 2-[methoxy(phenyl)phosphoryl]prop-2-enoic acid?
The IUPAC name of 2-[methoxy(phenyl)phosphoryl]prop-2-enoic acid (CID 15948085) is 2-[methoxy(phenyl)phosphoryl]prop-2-enoic acid.
What is the SMILES notation for 2-[methoxy(phenyl)phosphoryl]prop-2-enoic acid?
The canonical SMILES for 2-[methoxy(phenyl)phosphoryl]prop-2-enoic acid is C=C(C(=O)O)[P@](=O)(OC)c1ccccc1.
What is the InChIKey of 2-[methoxy(phenyl)phosphoryl]prop-2-enoic acid?
The InChIKey is GTBYXPOWGGXEJG-HNNXBMFYSA-N. The full InChI is InChI=1S/C10H11O4P/c1-8(10(11)12)15(13,14-2)9-6-4-3-5-7-9/h3-7H,1H2,2H3,(H,11,12)/t15-/m0/s1.
What are the key properties of 2-[methoxy(phenyl)phosphoryl]prop-2-enoic acid?
2-[methoxy(phenyl)phosphoryl]prop-2-enoic acid has a molecular weight of 226.17 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methoxy(phenyl)phosphoryl]prop-2-enoic acid is sourced from PubChem (CID 15948085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).