ethyl 3-(furan-3-yl)-2,3-dihydroxypropanoate

C9H12O5 — CID 171865500

IUPACethyl 3-(furan-3-yl)-2,3-dihydroxypropanoate
SMILESCCOC(=O)C(O)C(O)c1ccoc1
InChIInChI=1S/C9H12O5/c1-2-14-9(12)8(11)7(10)6-3-4-13-5-6/h3-5,7-8,10-11H,2H2,1H3
InChIKeyNJQKFWROFLKZKP-UHFFFAOYSA-N
MW200.19 g/mol
LogP0.24
Rot. Bonds4

About ethyl 3-(furan-3-yl)-2,3-dihydroxypropanoate

ethyl 3-(furan-3-yl)-2,3-dihydroxypropanoate (PubChem CID 171865500) has the molecular formula C9H12O5 and a molecular weight of 200.19 g/mol. Its IUPAC name is ethyl 3-(furan-3-yl)-2,3-dihydroxypropanoate.

Molecular Properties

Compound Nameethyl 3-(furan-3-yl)-2,3-dihydroxypropanoate
PubChem CID171865500
Molecular FormulaC9H12O5
Molecular Weight200.19 g/mol
Exact Mass200.07
IUPAC Nameethyl 3-(furan-3-yl)-2,3-dihydroxypropanoate
SMILESCCOC(=O)C(O)C(O)c1ccoc1
InChIInChI=1S/C9H12O5/c1-2-14-9(12)8(11)7(10)6-3-4-13-5-6/h3-5,7-8,10-11H,2H2,1H3
InChIKeyNJQKFWROFLKZKP-UHFFFAOYSA-N
XLogP0.24
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-fluoro-2-(furan-3-yl)acetate
CID 79366156
ethyl 3-(4-aminophenyl)-2,3-dihydroxypropanoate
CID 171865608
ethyl 2,3-dihydroxy-3-(4-hydroxyphenyl)propanoate
CID 171865553
ethyl (2R,3R)-3-(4-chlorophenyl)-2,3-dihydroxypropanoate
CID 102298817
[(1R)-3-ethoxy-1-(furan-3-yl)-3-oxopropyl]azanium
CID 7015544
ethyl 2,3-dihydroxy-3-(3-propan-2-ylphenyl)propanoate
CID 171865944
ethyl 2,3-dihydroxy-3-(4-hydroxy-3-methylphenyl)propanoate
CID 171865724
ethyl 3-(2-chloropyrimidin-5-yl)-2,3-dihydroxypropanoate
CID 118141576
ethyl 3-(3-fluorophenyl)-2,3-dihydroxypropanoate
CID 171865537
ethyl (2S,3R)-2,3-dihydroxy-3-(4-nitrophenyl)propanoate
CID 11149499
ethyl 2,3-dihydroxy-3-[4-(methylcarbamoyl)phenyl]propanoate
CID 171866592
ethyl 2,3-dihydroxy-3-(2-methylpyrazol-3-yl)propanoate
CID 171867144

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(furan-3-yl)-2,3-dihydroxypropanoate?
The IUPAC name of ethyl 3-(furan-3-yl)-2,3-dihydroxypropanoate (CID 171865500) is ethyl 3-(furan-3-yl)-2,3-dihydroxypropanoate.
What is the SMILES notation for ethyl 3-(furan-3-yl)-2,3-dihydroxypropanoate?
The canonical SMILES for ethyl 3-(furan-3-yl)-2,3-dihydroxypropanoate is CCOC(=O)C(O)C(O)c1ccoc1.
What is the InChIKey of ethyl 3-(furan-3-yl)-2,3-dihydroxypropanoate?
The InChIKey is NJQKFWROFLKZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O5/c1-2-14-9(12)8(11)7(10)6-3-4-13-5-6/h3-5,7-8,10-11H,2H2,1H3.
What are the key properties of ethyl 3-(furan-3-yl)-2,3-dihydroxypropanoate?
ethyl 3-(furan-3-yl)-2,3-dihydroxypropanoate has a molecular weight of 200.19 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(furan-3-yl)-2,3-dihydroxypropanoate is sourced from PubChem (CID 171865500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).