ethyl 2-ethyl-2-hydroxy-4-(2-methoxyphenyl)-3-methylbutanoate

C16H24O4 — CID 79298689

IUPACethyl 2-ethyl-2-hydroxy-4-(2-methoxyphenyl)-3-methylbutanoate
SMILESCCOC(=O)C(O)(CC)C(C)Cc1ccccc1OC
InChIInChI=1S/C16H24O4/c1-5-16(18,15(17)20-6-2)12(3)11-13-9-7-8-10-14(13)19-4/h7-10,12,18H,5-6,11H2,1-4H3
InChIKeyFYAXYXYDOMDBBU-UHFFFAOYSA-N
MW280.36 g/mol
LogP2.58
Rot. Bonds7

About ethyl 2-ethyl-2-hydroxy-4-(2-methoxyphenyl)-3-methylbutanoate

ethyl 2-ethyl-2-hydroxy-4-(2-methoxyphenyl)-3-methylbutanoate (PubChem CID 79298689) has the molecular formula C16H24O4 and a molecular weight of 280.36 g/mol. Its IUPAC name is ethyl 2-ethyl-2-hydroxy-4-(2-methoxyphenyl)-3-methylbutanoate.

Molecular Properties

Compound Nameethyl 2-ethyl-2-hydroxy-4-(2-methoxyphenyl)-3-methylbutanoate
PubChem CID79298689
Molecular FormulaC16H24O4
Molecular Weight280.36 g/mol
Exact Mass280.17
IUPAC Nameethyl 2-ethyl-2-hydroxy-4-(2-methoxyphenyl)-3-methylbutanoate
SMILESCCOC(=O)C(O)(CC)C(C)Cc1ccccc1OC
InChIInChI=1S/C16H24O4/c1-5-16(18,15(17)20-6-2)12(3)11-13-9-7-8-10-14(13)19-4/h7-10,12,18H,5-6,11H2,1-4H3
InChIKeyFYAXYXYDOMDBBU-UHFFFAOYSA-N
XLogP2.58
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-hydroxy-4-(2-methoxyphenyl)-2,3-dimethylbutanoate
CID 79308120
2-hydroxy-2-[1-(2-methoxyphenyl)propan-2-yl]pentanoic acid
CID 83051163
ethyl (2R,3S)-3-amino-4-(2-methoxyphenyl)-2-methylbutanoate
CID 124526085
ethyl 2-ethyl-2-hydroxy-3-(2-methylphenyl)butanoate
CID 79298581
ethyl 2-(aminomethyl)-2-[(2-methoxyphenyl)methyl]butanoate
CID 106487540
methyl (2S)-2-amino-3-(2-methoxyphenyl)propanoate
CID 10703616
4-hydroxy-2-[(2-methoxyphenyl)methyl]-4-methylhexanoic acid
CID 114495157
ethyl 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]butanoate
CID 65486472
2-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide;hydrochloride
CID 119319100
ethyl 2-hydroxy-2-(2-methoxyphenyl)propanoate
CID 62214840
ethyl (2R)-2-hydroxy-2-(2-methoxyphenyl)propanoate
CID 121014752
methyl 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-oxoacetate
CID 112617368

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-2-hydroxy-4-(2-methoxyphenyl)-3-methylbutanoate?
The IUPAC name of ethyl 2-ethyl-2-hydroxy-4-(2-methoxyphenyl)-3-methylbutanoate (CID 79298689) is ethyl 2-ethyl-2-hydroxy-4-(2-methoxyphenyl)-3-methylbutanoate.
What is the SMILES notation for ethyl 2-ethyl-2-hydroxy-4-(2-methoxyphenyl)-3-methylbutanoate?
The canonical SMILES for ethyl 2-ethyl-2-hydroxy-4-(2-methoxyphenyl)-3-methylbutanoate is CCOC(=O)C(O)(CC)C(C)Cc1ccccc1OC.
What is the InChIKey of ethyl 2-ethyl-2-hydroxy-4-(2-methoxyphenyl)-3-methylbutanoate?
The InChIKey is FYAXYXYDOMDBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O4/c1-5-16(18,15(17)20-6-2)12(3)11-13-9-7-8-10-14(13)19-4/h7-10,12,18H,5-6,11H2,1-4H3.
What are the key properties of ethyl 2-ethyl-2-hydroxy-4-(2-methoxyphenyl)-3-methylbutanoate?
ethyl 2-ethyl-2-hydroxy-4-(2-methoxyphenyl)-3-methylbutanoate has a molecular weight of 280.36 g/mol, XLogP of 2.58, 7 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-4-(2-methoxyphenyl)-3-methylbutanoate is sourced from PubChem (CID 79298689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).