ethyl 2,3-dihydroxy-3-(4-hydroxyphenyl)propanoate

C11H14O5 — CID 171865553

IUPACethyl 2,3-dihydroxy-3-(4-hydroxyphenyl)propanoate
SMILESCCOC(=O)C(O)C(O)c1ccc(O)cc1
InChIInChI=1S/C11H14O5/c1-2-16-11(15)10(14)9(13)7-3-5-8(12)6-4-7/h3-6,9-10,12-14H,2H2,1H3
InChIKeyBNADEWKHLTZRRG-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.35
Rot. Bonds4

About ethyl 2,3-dihydroxy-3-(4-hydroxyphenyl)propanoate

ethyl 2,3-dihydroxy-3-(4-hydroxyphenyl)propanoate (PubChem CID 171865553) has the molecular formula C11H14O5 and a molecular weight of 226.23 g/mol. Its IUPAC name is ethyl 2,3-dihydroxy-3-(4-hydroxyphenyl)propanoate.

Molecular Properties

Compound Nameethyl 2,3-dihydroxy-3-(4-hydroxyphenyl)propanoate
PubChem CID171865553
Molecular FormulaC11H14O5
Molecular Weight226.23 g/mol
Exact Mass226.08
IUPAC Nameethyl 2,3-dihydroxy-3-(4-hydroxyphenyl)propanoate
SMILESCCOC(=O)C(O)C(O)c1ccc(O)cc1
InChIInChI=1S/C11H14O5/c1-2-16-11(15)10(14)9(13)7-3-5-8(12)6-4-7/h3-6,9-10,12-14H,2H2,1H3
InChIKeyBNADEWKHLTZRRG-UHFFFAOYSA-N
XLogP0.35
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-(4-aminophenyl)-2,3-dihydroxypropanoate
CID 171865608
ethyl (2R,3R)-3-(4-chlorophenyl)-2,3-dihydroxypropanoate
CID 102298817
ethyl 2,3-dihydroxy-3-(4-hydroxy-3-methylphenyl)propanoate
CID 171865724
ethyl 3,4-dihydroxy-4-(4-hydroxyphenyl)butanoate
CID 171896820
ethyl 2,3-dihydroxy-3-[4-(methylcarbamoyl)phenyl]propanoate
CID 171866592
ethyl (2S,3R)-2,3-dihydroxy-3-(4-nitrophenyl)propanoate
CID 11149499
ethyl 2,3-dihydroxy-3-(3-hydroxy-5-methylphenyl)propanoate
CID 171865738
ethyl 2,3-dihydroxy-3-[4-(2,2,2-trifluoroacetyl)phenyl]propanoate
CID 171866964
ethyl 3-(3-carbamoyl-4-hydroxyphenyl)-2,3-dihydroxypropanoate
CID 171866564
4-[[4-[bis(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxyphenyl)methyl]phenol;ethyl acetate
CID 139176333
ethyl 2-fluoro-2-(4-hydroxyphenyl)acetate
CID 105451309
ethyl 2-bromo-2-(4-hydroxyphenyl)acetate
CID 88979124

Frequently Asked Questions

What is the IUPAC name of ethyl 2,3-dihydroxy-3-(4-hydroxyphenyl)propanoate?
The IUPAC name of ethyl 2,3-dihydroxy-3-(4-hydroxyphenyl)propanoate (CID 171865553) is ethyl 2,3-dihydroxy-3-(4-hydroxyphenyl)propanoate.
What is the SMILES notation for ethyl 2,3-dihydroxy-3-(4-hydroxyphenyl)propanoate?
The canonical SMILES for ethyl 2,3-dihydroxy-3-(4-hydroxyphenyl)propanoate is CCOC(=O)C(O)C(O)c1ccc(O)cc1.
What is the InChIKey of ethyl 2,3-dihydroxy-3-(4-hydroxyphenyl)propanoate?
The InChIKey is BNADEWKHLTZRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O5/c1-2-16-11(15)10(14)9(13)7-3-5-8(12)6-4-7/h3-6,9-10,12-14H,2H2,1H3.
What are the key properties of ethyl 2,3-dihydroxy-3-(4-hydroxyphenyl)propanoate?
ethyl 2,3-dihydroxy-3-(4-hydroxyphenyl)propanoate has a molecular weight of 226.23 g/mol, XLogP of 0.35, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,3-dihydroxy-3-(4-hydroxyphenyl)propanoate is sourced from PubChem (CID 171865553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).