(1-phenyl-1-phosphonooxypropyl) prop-2-enoate

C12H15O6P — CID 174732463

IUPAC(1-phenyl-1-phosphonooxypropyl) prop-2-enoate
SMILESC=CC(=O)OC(CC)(OP(=O)(O)O)c1ccccc1
InChIInChI=1S/C12H15O6P/c1-3-11(13)17-12(4-2,18-19(14,15)16)10-8-6-5-7-9-10/h3,5-9H,1,4H2,2H3,(H2,14,15,16)
InChIKeyZHSRKNMZKDWUMX-UHFFFAOYSA-N
MW286.22 g/mol
LogP2.09
Rot. Bonds6

About (1-phenyl-1-phosphonooxypropyl) prop-2-enoate

(1-phenyl-1-phosphonooxypropyl) prop-2-enoate (PubChem CID 174732463) has the molecular formula C12H15O6P and a molecular weight of 286.22 g/mol. Its IUPAC name is (1-phenyl-1-phosphonooxypropyl) prop-2-enoate.

Molecular Properties

Compound Name(1-phenyl-1-phosphonooxypropyl) prop-2-enoate
PubChem CID174732463
Molecular FormulaC12H15O6P
Molecular Weight286.22 g/mol
Exact Mass286.06
IUPAC Name(1-phenyl-1-phosphonooxypropyl) prop-2-enoate
SMILESC=CC(=O)OC(CC)(OP(=O)(O)O)c1ccccc1
InChIInChI=1S/C12H15O6P/c1-3-11(13)17-12(4-2,18-19(14,15)16)10-8-6-5-7-9-10/h3,5-9H,1,4H2,2H3,(H2,14,15,16)
InChIKeyZHSRKNMZKDWUMX-UHFFFAOYSA-N
XLogP2.09
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.22
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

3-phenylpentan-3-yl prop-2-enoate
CID 22709184
[(4-ethylphenyl)-diphenylmethyl] dihydrogen phosphate
CID 141047365
dimethyl-(1-phenyl-1-prop-2-enoyloxyethyl)-propylazanium
CID 158895838
(3-phenyl-3-prop-2-enoyloxy-3-trichlorosilylpropyl) prop-2-enoate
CID 171535388
(1-phenyl-1-phenylmethoxyethyl) prop-2-enoate
CID 175303935
[1-phenoxy-1-[4-[4-(1-phenoxy-1-prop-2-enoyloxypropoxy)phenyl]phenoxy]propyl] prop-2-enoate
CID 89187894
(2-methyl-2-phenylpropyl) prop-2-enoate
CID 141318899
[bis(2-methylphenyl)-phenylmethyl] dihydrogen phosphate
CID 162514642
(1-amino-2-cyano-1-phenylethyl) prop-2-enoate
CID 166665054
[2-phenyl-2-(prop-2-enoyloxymethyl)pentyl] prop-2-enoate
CID 139685478
(3-ethyl-3-phosphonooxypentan-2-yl) prop-2-enoate
CID 170161205
[2-phosphonooxy-2,2-di(prop-2-enoyloxy)ethyl] prop-2-enoate;prop-2-enoic acid
CID 146473580

Frequently Asked Questions

What is the IUPAC name of (1-phenyl-1-phosphonooxypropyl) prop-2-enoate?
The IUPAC name of (1-phenyl-1-phosphonooxypropyl) prop-2-enoate (CID 174732463) is (1-phenyl-1-phosphonooxypropyl) prop-2-enoate.
What is the SMILES notation for (1-phenyl-1-phosphonooxypropyl) prop-2-enoate?
The canonical SMILES for (1-phenyl-1-phosphonooxypropyl) prop-2-enoate is C=CC(=O)OC(CC)(OP(=O)(O)O)c1ccccc1.
What is the InChIKey of (1-phenyl-1-phosphonooxypropyl) prop-2-enoate?
The InChIKey is ZHSRKNMZKDWUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15O6P/c1-3-11(13)17-12(4-2,18-19(14,15)16)10-8-6-5-7-9-10/h3,5-9H,1,4H2,2H3,(H2,14,15,16).
What are the key properties of (1-phenyl-1-phosphonooxypropyl) prop-2-enoate?
(1-phenyl-1-phosphonooxypropyl) prop-2-enoate has a molecular weight of 286.22 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenyl-1-phosphonooxypropyl) prop-2-enoate is sourced from PubChem (CID 174732463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).