ethyl 2-ethyl-2-hydroxy-3-(4-propoxyphenyl)butanoate

C17H26O4 — CID 79303862

IUPACethyl 2-ethyl-2-hydroxy-3-(4-propoxyphenyl)butanoate
SMILESCCCOc1ccc(C(C)C(O)(CC)C(=O)OCC)cc1
InChIInChI=1S/C17H26O4/c1-5-12-21-15-10-8-14(9-11-15)13(4)17(19,6-2)16(18)20-7-3/h8-11,13,19H,5-7,12H2,1-4H3
InChIKeyLWDVSARBYDQKRM-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.28
Rot. Bonds8

About ethyl 2-ethyl-2-hydroxy-3-(4-propoxyphenyl)butanoate

ethyl 2-ethyl-2-hydroxy-3-(4-propoxyphenyl)butanoate (PubChem CID 79303862) has the molecular formula C17H26O4 and a molecular weight of 294.39 g/mol. Its IUPAC name is ethyl 2-ethyl-2-hydroxy-3-(4-propoxyphenyl)butanoate.

Molecular Properties

Compound Nameethyl 2-ethyl-2-hydroxy-3-(4-propoxyphenyl)butanoate
PubChem CID79303862
Molecular FormulaC17H26O4
Molecular Weight294.39 g/mol
Exact Mass294.18
IUPAC Nameethyl 2-ethyl-2-hydroxy-3-(4-propoxyphenyl)butanoate
SMILESCCCOc1ccc(C(C)C(O)(CC)C(=O)OCC)cc1
InChIInChI=1S/C17H26O4/c1-5-12-21-15-10-8-14(9-11-15)13(4)17(19,6-2)16(18)20-7-3/h8-11,13,19H,5-7,12H2,1-4H3
InChIKeyLWDVSARBYDQKRM-UHFFFAOYSA-N
XLogP3.28
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(3,4-difluorophenyl)-2-ethyl-2-hydroxybutanoate
CID 79299548
2-[1-(4-ethoxyphenyl)ethyl]-2-hydroxypentanoic acid
CID 83051898
ethyl 2,2-difluoro-2-(4-propoxyphenoxy)acetate
CID 66452413
ethyl 2-[1-(3,4-dimethylphenyl)ethyl]-2-hydroxypentanoate
CID 83050862
ethyl 2,2-difluoro-2-(4-propoxyphenyl)acetate
CID 55120663
ethyl 2-ethyl-2-hydroxy-3-(2-methylphenyl)butanoate
CID 79298581
ethyl 2-ethyl-3-hydroxy-3-(4-propoxyphenyl)butanoate
CID 62394724
2-(4-propoxyphenyl)pentan-3-one
CID 79307354
ethyl 2-(4-ethoxyphenyl)propanoate
CID 105479148
ethyl (3S)-3-amino-3-(4-ethoxyphenyl)-2,2-difluoropropanoate
CID 171246535
(3R)-3-amino-3-(4-propoxyphenyl)propanoic acid
CID 2060966
ethyl 3-(2,4-difluorophenyl)-2-ethyl-2-hydroxybutanoate
CID 79299005

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-2-hydroxy-3-(4-propoxyphenyl)butanoate?
The IUPAC name of ethyl 2-ethyl-2-hydroxy-3-(4-propoxyphenyl)butanoate (CID 79303862) is ethyl 2-ethyl-2-hydroxy-3-(4-propoxyphenyl)butanoate.
What is the SMILES notation for ethyl 2-ethyl-2-hydroxy-3-(4-propoxyphenyl)butanoate?
The canonical SMILES for ethyl 2-ethyl-2-hydroxy-3-(4-propoxyphenyl)butanoate is CCCOc1ccc(C(C)C(O)(CC)C(=O)OCC)cc1.
What is the InChIKey of ethyl 2-ethyl-2-hydroxy-3-(4-propoxyphenyl)butanoate?
The InChIKey is LWDVSARBYDQKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O4/c1-5-12-21-15-10-8-14(9-11-15)13(4)17(19,6-2)16(18)20-7-3/h8-11,13,19H,5-7,12H2,1-4H3.
What are the key properties of ethyl 2-ethyl-2-hydroxy-3-(4-propoxyphenyl)butanoate?
ethyl 2-ethyl-2-hydroxy-3-(4-propoxyphenyl)butanoate has a molecular weight of 294.39 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-2-hydroxy-3-(4-propoxyphenyl)butanoate is sourced from PubChem (CID 79303862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).