ethyl 2-ethoxy-2-phenylbutanoate

C14H20O3 — CID 141059319

IUPACethyl 2-ethoxy-2-phenylbutanoate
SMILESCCOC(=O)C(CC)(OCC)c1ccccc1
InChIInChI=1S/C14H20O3/c1-4-14(17-6-3,13(15)16-5-2)12-10-8-7-9-11-12/h7-11H,4-6H2,1-3H3
InChIKeyBAUDPTMGQJKNIC-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.89
Rot. Bonds6

About ethyl 2-ethoxy-2-phenylbutanoate

ethyl 2-ethoxy-2-phenylbutanoate (PubChem CID 141059319) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is ethyl 2-ethoxy-2-phenylbutanoate.

Molecular Properties

Compound Nameethyl 2-ethoxy-2-phenylbutanoate
PubChem CID141059319
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Nameethyl 2-ethoxy-2-phenylbutanoate
SMILESCCOC(=O)C(CC)(OCC)c1ccccc1
InChIInChI=1S/C14H20O3/c1-4-14(17-6-3,13(15)16-5-2)12-10-8-7-9-11-12/h7-11H,4-6H2,1-3H3
InChIKeyBAUDPTMGQJKNIC-UHFFFAOYSA-N
XLogP2.89
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

diethyl 2-iodo-2-phenylpropanedioate
CID 168868817
3-ethoxycarbonyl-3-phenylpentanoic acid
CID 175261723
ethyl (2S)-2-amino-2-phenylpropanoate
CID 86615568
diethyl 2-(hydroxymethyl)-2-phenylpropanedioate
CID 22236963
ethyl (3R)-3-hydroxy-2,2-dimethyl-3-phenylpentanoate
CID 13010841
diethyl 2-methylsulfanyl-2-phenylpropanedioate
CID 10517021
ethyl 2-hydroxy-2-methoxy-2-phenylacetate
CID 163409597
ethyl 2,3-diamino-2-phenylpropanoate
CID 174452427
sodium 2-ethoxycarbonyl-2-phenylbutanoate
CID 19003499
ethyl 2-hydroxy-2-(2-hydroxyethoxy)-2-phenylacetate
CID 68744175
ethyl 2-phenoxy-2,2-diphenylacetate
CID 134961459
2-phenoxy-2-phenylbutanoic acid
CID 20567350

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethoxy-2-phenylbutanoate?
The IUPAC name of ethyl 2-ethoxy-2-phenylbutanoate (CID 141059319) is ethyl 2-ethoxy-2-phenylbutanoate.
What is the SMILES notation for ethyl 2-ethoxy-2-phenylbutanoate?
The canonical SMILES for ethyl 2-ethoxy-2-phenylbutanoate is CCOC(=O)C(CC)(OCC)c1ccccc1.
What is the InChIKey of ethyl 2-ethoxy-2-phenylbutanoate?
The InChIKey is BAUDPTMGQJKNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-4-14(17-6-3,13(15)16-5-2)12-10-8-7-9-11-12/h7-11H,4-6H2,1-3H3.
What are the key properties of ethyl 2-ethoxy-2-phenylbutanoate?
ethyl 2-ethoxy-2-phenylbutanoate has a molecular weight of 236.31 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethoxy-2-phenylbutanoate is sourced from PubChem (CID 141059319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).