ethyl 3-hydroxy-3-(2-hydroxyphenyl)propanoate

C11H14O4 — CID 11183417

IUPACethyl 3-hydroxy-3-(2-hydroxyphenyl)propanoate
SMILESCCOC(=O)CC(O)c1ccccc1O
InChIInChI=1S/C11H14O4/c1-2-15-11(14)7-10(13)8-5-3-4-6-9(8)12/h3-6,10,12-13H,2,7H2,1H3
InChIKeyKUIQWKWPFHYSPB-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.38
Rot. Bonds4

About ethyl 3-hydroxy-3-(2-hydroxyphenyl)propanoate

ethyl 3-hydroxy-3-(2-hydroxyphenyl)propanoate (PubChem CID 11183417) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is ethyl 3-hydroxy-3-(2-hydroxyphenyl)propanoate.

Molecular Properties

Compound Nameethyl 3-hydroxy-3-(2-hydroxyphenyl)propanoate
PubChem CID11183417
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Nameethyl 3-hydroxy-3-(2-hydroxyphenyl)propanoate
SMILESCCOC(=O)CC(O)c1ccccc1O
InChIInChI=1S/C11H14O4/c1-2-15-11(14)7-10(13)8-5-3-4-6-9(8)12/h3-6,10,12-13H,2,7H2,1H3
InChIKeyKUIQWKWPFHYSPB-UHFFFAOYSA-N
XLogP1.38
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (3R)-3-(2-hydroxyphenyl)pentanoate
CID 134944349
ethyl (3S)-3-hydroxy-3-phenylpropanoate
CID 853697
ethyl (3S)-3-(2-amino-3-hydroxyphenyl)butanoate
CID 174422298
ethyl (3S)-3-amino-3-(2-fluorophenyl)propanoate
CID 723062
ethyl 3,4-dihydroxy-4-(2-sulfamoylphenyl)butanoate
CID 171897814
ethyl 3-hydroxy-3-isoquinolin-4-ylpropanoate
CID 104505059
ethyl 4-(2-bromophenyl)-3,4-dihydroxybutanoate
CID 171898431
ethyl (3S)-3-hydroxy-3-naphthalen-2-ylpropanoate
CID 13023961
ethyl 2-[2-(1-hydroxypropyl)phenoxy]acetate
CID 43503550
2-[2-(4-ethoxy-1,2-dihydroxy-4-oxobutyl)phenyl]acetic acid
CID 171897691
ethyl (3R,5S)-3,5-dihydroxy-5-phenylpentanoate
CID 23239477
ethyl (3S)-3-amino-3-(2-methoxyphenyl)propanoate;hydrochloride
CID 171220006

Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-3-(2-hydroxyphenyl)propanoate?
The IUPAC name of ethyl 3-hydroxy-3-(2-hydroxyphenyl)propanoate (CID 11183417) is ethyl 3-hydroxy-3-(2-hydroxyphenyl)propanoate.
What is the SMILES notation for ethyl 3-hydroxy-3-(2-hydroxyphenyl)propanoate?
The canonical SMILES for ethyl 3-hydroxy-3-(2-hydroxyphenyl)propanoate is CCOC(=O)CC(O)c1ccccc1O.
What is the InChIKey of ethyl 3-hydroxy-3-(2-hydroxyphenyl)propanoate?
The InChIKey is KUIQWKWPFHYSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-2-15-11(14)7-10(13)8-5-3-4-6-9(8)12/h3-6,10,12-13H,2,7H2,1H3.
What are the key properties of ethyl 3-hydroxy-3-(2-hydroxyphenyl)propanoate?
ethyl 3-hydroxy-3-(2-hydroxyphenyl)propanoate has a molecular weight of 210.23 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxy-3-(2-hydroxyphenyl)propanoate is sourced from PubChem (CID 11183417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).