ethyl 2-[phenyl(propan-2-yloxy)phosphoryl]oxyprop-2-enoate

C14H19O5P — CID 134933184

IUPACethyl 2-[phenyl(propan-2-yloxy)phosphoryl]oxyprop-2-enoate
SMILESC=C(OP(=O)(OC(C)C)c1ccccc1)C(=O)OCC
InChIInChI=1S/C14H19O5P/c1-5-17-14(15)12(4)19-20(16,18-11(2)3)13-9-7-6-8-10-13/h6-11H,4-5H2,1-3H3
InChIKeyASKCXWVVBHHZNN-UHFFFAOYSA-N
MW298.28 g/mol
LogP3.02
Rot. Bonds7

About ethyl 2-[phenyl(propan-2-yloxy)phosphoryl]oxyprop-2-enoate

ethyl 2-[phenyl(propan-2-yloxy)phosphoryl]oxyprop-2-enoate (PubChem CID 134933184) has the molecular formula C14H19O5P and a molecular weight of 298.28 g/mol. Its IUPAC name is ethyl 2-[phenyl(propan-2-yloxy)phosphoryl]oxyprop-2-enoate.

Molecular Properties

Compound Nameethyl 2-[phenyl(propan-2-yloxy)phosphoryl]oxyprop-2-enoate
PubChem CID134933184
Molecular FormulaC14H19O5P
Molecular Weight298.28 g/mol
Exact Mass298.10
IUPAC Nameethyl 2-[phenyl(propan-2-yloxy)phosphoryl]oxyprop-2-enoate
SMILESC=C(OP(=O)(OC(C)C)c1ccccc1)C(=O)OCC
InChIInChI=1S/C14H19O5P/c1-5-17-14(15)12(4)19-20(16,18-11(2)3)13-9-7-6-8-10-13/h6-11H,4-5H2,1-3H3
InChIKeyASKCXWVVBHHZNN-UHFFFAOYSA-N
XLogP3.02
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.28
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-methylidene-3-phenylbutanoate
CID 10081635
ethoxycarbonyloxy(phenyl)phosphinic acid
CID 141287038
ethyl 2-diphenylphosphorylbutanoate
CID 3289808
ethyl 2-[methyl(diphenyl)-λ5-phosphanylidene]acetate
CID 11471690
chlorobenzene;diethyl 2-methylidenepropanedioate
CID 174760739
ethyl (E)-2-(diphenylphosphorylamino)but-2-enoate
CID 12904300
chloromethylbenzene;ethyl 2-aminoprop-2-enoate
CID 21263566
ethyl 2-[(triphenyl-λ5-phosphanylidene)amino]propanoate
CID 10643311
ethyl 2-(2-bromopropoxy)prop-2-enoate
CID 57254439
ethyl 2-[(R)-anilino(phenyl)methyl]prop-2-enoate
CID 102132707
ethyl 2-methylprop-2-enoate;phthalic acid
CID 66831473
3-O-benzyl 1-O-ethyl 2-methylidenepropanedioate
CID 118947180

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[phenyl(propan-2-yloxy)phosphoryl]oxyprop-2-enoate?
The IUPAC name of ethyl 2-[phenyl(propan-2-yloxy)phosphoryl]oxyprop-2-enoate (CID 134933184) is ethyl 2-[phenyl(propan-2-yloxy)phosphoryl]oxyprop-2-enoate.
What is the SMILES notation for ethyl 2-[phenyl(propan-2-yloxy)phosphoryl]oxyprop-2-enoate?
The canonical SMILES for ethyl 2-[phenyl(propan-2-yloxy)phosphoryl]oxyprop-2-enoate is C=C(OP(=O)(OC(C)C)c1ccccc1)C(=O)OCC.
What is the InChIKey of ethyl 2-[phenyl(propan-2-yloxy)phosphoryl]oxyprop-2-enoate?
The InChIKey is ASKCXWVVBHHZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19O5P/c1-5-17-14(15)12(4)19-20(16,18-11(2)3)13-9-7-6-8-10-13/h6-11H,4-5H2,1-3H3.
What are the key properties of ethyl 2-[phenyl(propan-2-yloxy)phosphoryl]oxyprop-2-enoate?
ethyl 2-[phenyl(propan-2-yloxy)phosphoryl]oxyprop-2-enoate has a molecular weight of 298.28 g/mol, XLogP of 3.02, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[phenyl(propan-2-yloxy)phosphoryl]oxyprop-2-enoate is sourced from PubChem (CID 134933184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).