ethyl 4-phenyl-4-phosphorosobutanoate

C12H15O3P — CID 174776094

IUPACethyl 4-phenyl-4-phosphorosobutanoate
SMILESCCOC(=O)CCC(P=O)c1ccccc1
InChIInChI=1S/C12H15O3P/c1-2-15-12(13)9-8-11(16-14)10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3
InChIKeyOZSLZZCJKIKJRC-UHFFFAOYSA-N
MW238.22 g/mol
LogP3.36
Rot. Bonds6

About ethyl 4-phenyl-4-phosphorosobutanoate

ethyl 4-phenyl-4-phosphorosobutanoate (PubChem CID 174776094) has the molecular formula C12H15O3P and a molecular weight of 238.22 g/mol. Its IUPAC name is ethyl 4-phenyl-4-phosphorosobutanoate.

Molecular Properties

Compound Nameethyl 4-phenyl-4-phosphorosobutanoate
PubChem CID174776094
Molecular FormulaC12H15O3P
Molecular Weight238.22 g/mol
Exact Mass238.08
IUPAC Nameethyl 4-phenyl-4-phosphorosobutanoate
SMILESCCOC(=O)CCC(P=O)c1ccccc1
InChIInChI=1S/C12H15O3P/c1-2-15-12(13)9-8-11(16-14)10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3
InChIKeyOZSLZZCJKIKJRC-UHFFFAOYSA-N
XLogP3.36
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 53.36
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

1-O,1-O-dibenzyl 3-O-ethyl propane-1,1,3-tricarboxylate
CID 101179268
ethyl 4-methyl-6-phenylheptanoate
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ethyl 4-phenoxy-4-phenylbutanoate
CID 151980337
ethyl (4S,6R)-6-hydroxy-4-phenylheptanoate
CID 10944846
ethyl 4-acetamido-4-phenylbutanoate
CID 132511328
ethyl (4S)-4-amino-5-phenylpentanoate
CID 46237823
ethyl (3S)-3-hydroxy-3-phenylpropanoate
CID 853697
ethyl 4-methylpentanoate;ethyl 3-phenylpropanoate
CID 174922594
5-O-benzyl 1-O-ethyl (2R)-2-aminopentanedioate
CID 57177294
ethyl 3-[fluoro(phenyl)methoxy]propanoate
CID 174300216
ethyl (4R)-4-[[(R)-tert-butylsulfinyl]amino]-4-phenylbutanoate
CID 71661762
ethyl (4S,5R)-5-[dimethyl(phenyl)silyl]-4-methyl-5-phenylpentanoate
CID 11725705

Frequently Asked Questions

What is the IUPAC name of ethyl 4-phenyl-4-phosphorosobutanoate?
The IUPAC name of ethyl 4-phenyl-4-phosphorosobutanoate (CID 174776094) is ethyl 4-phenyl-4-phosphorosobutanoate.
What is the SMILES notation for ethyl 4-phenyl-4-phosphorosobutanoate?
The canonical SMILES for ethyl 4-phenyl-4-phosphorosobutanoate is CCOC(=O)CCC(P=O)c1ccccc1.
What is the InChIKey of ethyl 4-phenyl-4-phosphorosobutanoate?
The InChIKey is OZSLZZCJKIKJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15O3P/c1-2-15-12(13)9-8-11(16-14)10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3.
What are the key properties of ethyl 4-phenyl-4-phosphorosobutanoate?
ethyl 4-phenyl-4-phosphorosobutanoate has a molecular weight of 238.22 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-phenyl-4-phosphorosobutanoate is sourced from PubChem (CID 174776094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).