dimethyl 2-phenylprop-2-enyl phosphite

C11H15O3P — CID 54208856

IUPACdimethyl 2-phenylprop-2-enyl phosphite
SMILESC=C(COP(OC)OC)c1ccccc1
InChIInChI=1S/C11H15O3P/c1-10(9-14-15(12-2)13-3)11-7-5-4-6-8-11/h4-8H,1,9H2,2-3H3
InChIKeyPUMLVPMMJYIERA-UHFFFAOYSA-N
MW226.21 g/mol
LogP3.24
Rot. Bonds6

About dimethyl 2-phenylprop-2-enyl phosphite

dimethyl 2-phenylprop-2-enyl phosphite (PubChem CID 54208856) has the molecular formula C11H15O3P and a molecular weight of 226.21 g/mol. Its IUPAC name is dimethyl 2-phenylprop-2-enyl phosphite.

Molecular Properties

Compound Namedimethyl 2-phenylprop-2-enyl phosphite
PubChem CID54208856
Molecular FormulaC11H15O3P
Molecular Weight226.21 g/mol
Exact Mass226.08
IUPAC Namedimethyl 2-phenylprop-2-enyl phosphite
SMILESC=C(COP(OC)OC)c1ccccc1
InChIInChI=1S/C11H15O3P/c1-10(9-14-15(12-2)13-3)11-7-5-4-6-8-11/h4-8H,1,9H2,2-3H3
InChIKeyPUMLVPMMJYIERA-UHFFFAOYSA-N
XLogP3.24
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.21
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 136722619
CID 136722619
3-pentoxyprop-1-en-2-ylbenzene
CID 174460660
trimethoxy(3-phenylbut-3-enyl)silane
CID 66830761
3-(2,2,2-trifluoroethoxy)prop-1-en-2-ylbenzene
CID 14469488
3-[2-(2-butoxyethoxy)ethoxy]prop-1-en-2-ylbenzene
CID 175197492
pent-1-en-2-ylbenzene
CID 521761
3-(6-bromohexoxy)prop-1-en-2-ylbenzene
CID 70184291
2-phenylprop-2-en-1-amine;propane
CID 143101756
trimethyl(2-phenylprop-2-enyl)azanium
CID 10901234
1-(2-phenylprop-2-enylperoxy)-2-propan-2-ylbenzene
CID 19352226
[2-(2-phenylprop-2-enoxy)phenyl]methanol
CID 70376381
ethane;methoxymethane;prop-1-en-2-ylbenzene
CID 160714954

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-phenylprop-2-enyl phosphite?
The IUPAC name of dimethyl 2-phenylprop-2-enyl phosphite (CID 54208856) is dimethyl 2-phenylprop-2-enyl phosphite.
What is the SMILES notation for dimethyl 2-phenylprop-2-enyl phosphite?
The canonical SMILES for dimethyl 2-phenylprop-2-enyl phosphite is C=C(COP(OC)OC)c1ccccc1.
What is the InChIKey of dimethyl 2-phenylprop-2-enyl phosphite?
The InChIKey is PUMLVPMMJYIERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15O3P/c1-10(9-14-15(12-2)13-3)11-7-5-4-6-8-11/h4-8H,1,9H2,2-3H3.
What are the key properties of dimethyl 2-phenylprop-2-enyl phosphite?
dimethyl 2-phenylprop-2-enyl phosphite has a molecular weight of 226.21 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-phenylprop-2-enyl phosphite is sourced from PubChem (CID 54208856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).