diethyl 2-phenoxybutanedioate

C14H18O5 — CID 72766015

IUPACdiethyl 2-phenoxybutanedioate
SMILESCCOC(=O)CC(Oc1ccccc1)C(=O)OCC
InChIInChI=1S/C14H18O5/c1-3-17-13(15)10-12(14(16)18-4-2)19-11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3
InChIKeyFZZOPKMCRJVKLE-UHFFFAOYSA-N
MW266.29 g/mol
LogP1.95
Rot. Bonds7

About diethyl 2-phenoxybutanedioate

diethyl 2-phenoxybutanedioate (PubChem CID 72766015) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is diethyl 2-phenoxybutanedioate.

Molecular Properties

Compound Namediethyl 2-phenoxybutanedioate
PubChem CID72766015
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Namediethyl 2-phenoxybutanedioate
SMILESCCOC(=O)CC(Oc1ccccc1)C(=O)OCC
InChIInChI=1S/C14H18O5/c1-3-17-13(15)10-12(14(16)18-4-2)19-11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3
InChIKeyFZZOPKMCRJVKLE-UHFFFAOYSA-N
XLogP1.95
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

dipropyl 2-phenoxybutanedioate
CID 139989420
ethyl 2-phenoxydecanoate
CID 101000092
ethyl 2-methylidene-3-phenoxyhexanoate
CID 15482668
ethyl 4-(methanesulfonamido)-2-phenoxybutanoate
CID 57267762
2-phenoxypentaneperoxoic acid
CID 18459699
ethyl 2-(4-phenylphenoxy)heptanoate
CID 154127822
ethyl 2-(4-methylphenoxy)butanoate
CID 64662052
diethyl (2S)-2-[(2E,4E)-5-phenylpenta-2,4-dienoyl]oxybutanedioate
CID 168973637
ethyl 4-phenoxy-4-phenylbutanoate
CID 151980337
ethyl 4-fluoro-3-phenylbutanoate
CID 121436006
(2R)-2-phenoxyhexanoic acid
CID 71401043
sodium 2-phenoxypentanoate
CID 59946136

Frequently Asked Questions

What is the IUPAC name of diethyl 2-phenoxybutanedioate?
The IUPAC name of diethyl 2-phenoxybutanedioate (CID 72766015) is diethyl 2-phenoxybutanedioate.
What is the SMILES notation for diethyl 2-phenoxybutanedioate?
The canonical SMILES for diethyl 2-phenoxybutanedioate is CCOC(=O)CC(Oc1ccccc1)C(=O)OCC.
What is the InChIKey of diethyl 2-phenoxybutanedioate?
The InChIKey is FZZOPKMCRJVKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O5/c1-3-17-13(15)10-12(14(16)18-4-2)19-11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3.
What are the key properties of diethyl 2-phenoxybutanedioate?
diethyl 2-phenoxybutanedioate has a molecular weight of 266.29 g/mol, XLogP of 1.95, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-phenoxybutanedioate is sourced from PubChem (CID 72766015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).