ethyl 2-hydroxy-2-(2-hydroxy-5-methylphenyl)propanoate

C12H16O4 — CID 13307804

IUPACethyl 2-hydroxy-2-(2-hydroxy-5-methylphenyl)propanoate
SMILESCCOC(=O)C(C)(O)c1cc(C)ccc1O
InChIInChI=1S/C12H16O4/c1-4-16-11(14)12(3,15)9-7-8(2)5-6-10(9)13/h5-7,13,15H,4H2,1-3H3
InChIKeyATZHRLKOPDVLOF-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.47
Rot. Bonds3

About ethyl 2-hydroxy-2-(2-hydroxy-5-methylphenyl)propanoate

ethyl 2-hydroxy-2-(2-hydroxy-5-methylphenyl)propanoate (PubChem CID 13307804) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is ethyl 2-hydroxy-2-(2-hydroxy-5-methylphenyl)propanoate.

Molecular Properties

Compound Nameethyl 2-hydroxy-2-(2-hydroxy-5-methylphenyl)propanoate
PubChem CID13307804
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Nameethyl 2-hydroxy-2-(2-hydroxy-5-methylphenyl)propanoate
SMILESCCOC(=O)C(C)(O)c1cc(C)ccc1O
InChIInChI=1S/C12H16O4/c1-4-16-11(14)12(3,15)9-7-8(2)5-6-10(9)13/h5-7,13,15H,4H2,1-3H3
InChIKeyATZHRLKOPDVLOF-UHFFFAOYSA-N
XLogP1.47
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(2,5-dimethylphenyl)-2-methylpropanoate
CID 62550626
ethyl 2-(3,5-ditert-butylphenyl)-2-hydroxypropanoate
CID 143309553
ethyl 2-hydroxy-2-(2-methoxyphenyl)propanoate
CID 62214840
ethyl (2R)-2-hydroxy-2-(2-methoxyphenyl)propanoate
CID 121014752
ethyl 3-hydroxy-3-(2-methoxy-5-methylphenyl)butanoate
CID 55071451
ethyl 2-(2,5-dimethylphenyl)-2-(prop-2-ynylamino)propanoate
CID 55063389
ethyl 2-(2,5-dimethylphenyl)-2-(2-methoxyethylamino)propanoate
CID 62541176
4-methyl-2-(2,4,4-trimethylpentan-2-yl)phenol
CID 521263
ethyl 2-amino-2-(2-methoxy-5-methylphenyl)butanoate
CID 5022792
ethyl (2S)-2-(3,4-difluorophenyl)-2-hydroxypropanoate
CID 94376533
ethyl 2-(3,4-difluorophenyl)-2-hydroxypropanoate
CID 62215035
2-tert-butylbenzene-1,4-diol;ethyl acetate
CID 160880544

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-2-(2-hydroxy-5-methylphenyl)propanoate?
The IUPAC name of ethyl 2-hydroxy-2-(2-hydroxy-5-methylphenyl)propanoate (CID 13307804) is ethyl 2-hydroxy-2-(2-hydroxy-5-methylphenyl)propanoate.
What is the SMILES notation for ethyl 2-hydroxy-2-(2-hydroxy-5-methylphenyl)propanoate?
The canonical SMILES for ethyl 2-hydroxy-2-(2-hydroxy-5-methylphenyl)propanoate is CCOC(=O)C(C)(O)c1cc(C)ccc1O.
What is the InChIKey of ethyl 2-hydroxy-2-(2-hydroxy-5-methylphenyl)propanoate?
The InChIKey is ATZHRLKOPDVLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-4-16-11(14)12(3,15)9-7-8(2)5-6-10(9)13/h5-7,13,15H,4H2,1-3H3.
What are the key properties of ethyl 2-hydroxy-2-(2-hydroxy-5-methylphenyl)propanoate?
ethyl 2-hydroxy-2-(2-hydroxy-5-methylphenyl)propanoate has a molecular weight of 224.26 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-2-(2-hydroxy-5-methylphenyl)propanoate is sourced from PubChem (CID 13307804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).