(1-phenyl-3-phosphonooxypropan-2-yl) prop-2-enoate

C12H15O6P — CID 67195781

IUPAC(1-phenyl-3-phosphonooxypropan-2-yl) prop-2-enoate
SMILESC=CC(=O)OC(COP(=O)(O)O)Cc1ccccc1
InChIInChI=1S/C12H15O6P/c1-2-12(13)18-11(9-17-19(14,15)16)8-10-6-4-3-5-7-10/h2-7,11H,1,8-9H2,(H2,14,15,16)
InChIKeyDLHVVVNZHGLIMA-UHFFFAOYSA-N
MW286.22 g/mol
LogP1.44
Rot. Bonds7

About (1-phenyl-3-phosphonooxypropan-2-yl) prop-2-enoate

(1-phenyl-3-phosphonooxypropan-2-yl) prop-2-enoate (PubChem CID 67195781) has the molecular formula C12H15O6P and a molecular weight of 286.22 g/mol. Its IUPAC name is (1-phenyl-3-phosphonooxypropan-2-yl) prop-2-enoate.

Molecular Properties

Compound Name(1-phenyl-3-phosphonooxypropan-2-yl) prop-2-enoate
PubChem CID67195781
Molecular FormulaC12H15O6P
Molecular Weight286.22 g/mol
Exact Mass286.06
IUPAC Name(1-phenyl-3-phosphonooxypropan-2-yl) prop-2-enoate
SMILESC=CC(=O)OC(COP(=O)(O)O)Cc1ccccc1
InChIInChI=1S/C12H15O6P/c1-2-12(13)18-11(9-17-19(14,15)16)8-10-6-4-3-5-7-10/h2-7,11H,1,8-9H2,(H2,14,15,16)
InChIKeyDLHVVVNZHGLIMA-UHFFFAOYSA-N
XLogP1.44
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.22
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1-phenyl-3-phosphonooxypropan-2-yl) prop-2-enoate 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

1,3-bis(benzylsulfanyl)propan-2-yl prop-2-enoate
CID 54311286
[(2S)-1-phenylmethoxypent-4-en-2-yl] prop-2-enoate
CID 10514563
1-phenylethyl prop-2-enoate
CID 175321764
2-hydroxyethyl(trimethyl)azanium;1-phosphonooxybutan-2-yl prop-2-enoate
CID 174737984
[1-(4-benzylphenoxy)-3-methoxypropan-2-yl] prop-2-enoate
CID 142355257
(1-chloro-3-phenylpropyl) prop-2-enoate
CID 174849887
1-[hydroxy(2-prop-2-enoyloxypentoxy)phosphoryl]oxypentan-2-yl prop-2-enoate
CID 164851657
1-(benzylamino)ethyl prop-2-enoate;hydrobromide
CID 175525359
(1-hydroxy-2-phenoxyethyl) prop-2-enoate
CID 66615997
(2-benzoyloxy-3-phenylpropyl) benzoate
CID 44718260
[1-(3-phenylphenoxy)-3-[3-[3-(3-phenylphenoxy)-2-prop-2-enoyloxypropoxy]phenoxy]propan-2-yl] prop-2-enoate
CID 23111038
[1-phenoxy-3-[4-[2-[2-[4-(3-phenoxy-2-prop-2-enoyloxypropoxy)phenyl]phenyl]phenyl]phenoxy]propan-2-yl] prop-2-enoate
CID 118671524

Frequently Asked Questions

What is the IUPAC name of (1-phenyl-3-phosphonooxypropan-2-yl) prop-2-enoate?
The IUPAC name of (1-phenyl-3-phosphonooxypropan-2-yl) prop-2-enoate (CID 67195781) is (1-phenyl-3-phosphonooxypropan-2-yl) prop-2-enoate.
What is the SMILES notation for (1-phenyl-3-phosphonooxypropan-2-yl) prop-2-enoate?
The canonical SMILES for (1-phenyl-3-phosphonooxypropan-2-yl) prop-2-enoate is C=CC(=O)OC(COP(=O)(O)O)Cc1ccccc1.
What is the InChIKey of (1-phenyl-3-phosphonooxypropan-2-yl) prop-2-enoate?
The InChIKey is DLHVVVNZHGLIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15O6P/c1-2-12(13)18-11(9-17-19(14,15)16)8-10-6-4-3-5-7-10/h2-7,11H,1,8-9H2,(H2,14,15,16).
What are the key properties of (1-phenyl-3-phosphonooxypropan-2-yl) prop-2-enoate?
(1-phenyl-3-phosphonooxypropan-2-yl) prop-2-enoate has a molecular weight of 286.22 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenyl-3-phosphonooxypropan-2-yl) prop-2-enoate is sourced from PubChem (CID 67195781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).