ethyl 3-(2-ethoxyphenyl)-3-hydroxy-2,2-dimethylpropanoate

C15H22O4 — CID 62396996

IUPACethyl 3-(2-ethoxyphenyl)-3-hydroxy-2,2-dimethylpropanoate
SMILESCCOC(=O)C(C)(C)C(O)c1ccccc1OCC
InChIInChI=1S/C15H22O4/c1-5-18-12-10-8-7-9-11(12)13(16)15(3,4)14(17)19-6-2/h7-10,13,16H,5-6H2,1-4H3
InChIKeyJFQDXEMHJYOXPI-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.71
Rot. Bonds6

About ethyl 3-(2-ethoxyphenyl)-3-hydroxy-2,2-dimethylpropanoate

ethyl 3-(2-ethoxyphenyl)-3-hydroxy-2,2-dimethylpropanoate (PubChem CID 62396996) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is ethyl 3-(2-ethoxyphenyl)-3-hydroxy-2,2-dimethylpropanoate.

Molecular Properties

Compound Nameethyl 3-(2-ethoxyphenyl)-3-hydroxy-2,2-dimethylpropanoate
PubChem CID62396996
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Nameethyl 3-(2-ethoxyphenyl)-3-hydroxy-2,2-dimethylpropanoate
SMILESCCOC(=O)C(C)(C)C(O)c1ccccc1OCC
InChIInChI=1S/C15H22O4/c1-5-18-12-10-8-7-9-11(12)13(16)15(3,4)14(17)19-6-2/h7-10,13,16H,5-6H2,1-4H3
InChIKeyJFQDXEMHJYOXPI-UHFFFAOYSA-N
XLogP2.71
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(2-bromophenyl)-3-hydroxy-2,2-dimethylpropanoate
CID 62397796
2,2,2-trichloro-1-(2-ethoxyphenyl)ethanol
CID 23460388
ethyl 3-(2-ethoxyphenyl)-2,2-difluoro-3-hydroxybutanoate
CID 62397772
ethyl 3-(2-bromo-4-fluorophenyl)-3-hydroxy-2,2-dimethylpropanoate
CID 114060842
(2R)-2-(2-ethoxyphenyl)-2-hydroxyacetamide
CID 94376566
2-bromo-1-(2-ethoxyphenyl)-2,2-difluoroethanol
CID 107140033
ethyl 2,2,3-trimethyl-4-oxo-4-phenylbutanoate
CID 101353023
ethyl 3-(2-ethoxyphenyl)-3-hydroxy-2,2-dimethylbutanoate
CID 62399004
ethyl 3-hydroxy-2,2-dimethyl-3-(3-methylphenyl)propanoate
CID 55071318
1-(2-ethoxyphenyl)-3,3-dimethylbutane-1,2-diol
CID 103457274
2-[(2-ethoxyphenyl)-hydroxymethyl]butanoic acid
CID 62397820
ethyl 2-[1-(2-ethoxyphenyl)ethylamino]acetate
CID 60812252

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-ethoxyphenyl)-3-hydroxy-2,2-dimethylpropanoate?
The IUPAC name of ethyl 3-(2-ethoxyphenyl)-3-hydroxy-2,2-dimethylpropanoate (CID 62396996) is ethyl 3-(2-ethoxyphenyl)-3-hydroxy-2,2-dimethylpropanoate.
What is the SMILES notation for ethyl 3-(2-ethoxyphenyl)-3-hydroxy-2,2-dimethylpropanoate?
The canonical SMILES for ethyl 3-(2-ethoxyphenyl)-3-hydroxy-2,2-dimethylpropanoate is CCOC(=O)C(C)(C)C(O)c1ccccc1OCC.
What is the InChIKey of ethyl 3-(2-ethoxyphenyl)-3-hydroxy-2,2-dimethylpropanoate?
The InChIKey is JFQDXEMHJYOXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-5-18-12-10-8-7-9-11(12)13(16)15(3,4)14(17)19-6-2/h7-10,13,16H,5-6H2,1-4H3.
What are the key properties of ethyl 3-(2-ethoxyphenyl)-3-hydroxy-2,2-dimethylpropanoate?
ethyl 3-(2-ethoxyphenyl)-3-hydroxy-2,2-dimethylpropanoate has a molecular weight of 266.34 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-ethoxyphenyl)-3-hydroxy-2,2-dimethylpropanoate is sourced from PubChem (CID 62396996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).