ethyl 3-(furan-2-yl)-3-hydroxypropanoate

C9H12O4 — CID 4738172

IUPACethyl 3-(furan-2-yl)-3-hydroxypropanoate
SMILESCCOC(=O)CC(O)c1ccco1
InChIInChI=1S/C9H12O4/c1-2-12-9(11)6-7(10)8-4-3-5-13-8/h3-5,7,10H,2,6H2,1H3
InChIKeyRGJQSVMOPGCGFV-UHFFFAOYSA-N
MW184.19 g/mol
LogP1.27
Rot. Bonds4

About ethyl 3-(furan-2-yl)-3-hydroxypropanoate

ethyl 3-(furan-2-yl)-3-hydroxypropanoate (PubChem CID 4738172) has the molecular formula C9H12O4 and a molecular weight of 184.19 g/mol. Its IUPAC name is ethyl 3-(furan-2-yl)-3-hydroxypropanoate.

Molecular Properties

Compound Nameethyl 3-(furan-2-yl)-3-hydroxypropanoate
PubChem CID4738172
Molecular FormulaC9H12O4
Molecular Weight184.19 g/mol
Exact Mass184.07
IUPAC Nameethyl 3-(furan-2-yl)-3-hydroxypropanoate
SMILESCCOC(=O)CC(O)c1ccco1
InChIInChI=1S/C9H12O4/c1-2-12-9(11)6-7(10)8-4-3-5-13-8/h3-5,7,10H,2,6H2,1H3
InChIKeyRGJQSVMOPGCGFV-UHFFFAOYSA-N
XLogP1.27
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(furan-2-yl)-3-hydroxypropanoate?
The IUPAC name of ethyl 3-(furan-2-yl)-3-hydroxypropanoate (CID 4738172) is ethyl 3-(furan-2-yl)-3-hydroxypropanoate.
What is the SMILES notation for ethyl 3-(furan-2-yl)-3-hydroxypropanoate?
The canonical SMILES for ethyl 3-(furan-2-yl)-3-hydroxypropanoate is CCOC(=O)CC(O)c1ccco1.
What is the InChIKey of ethyl 3-(furan-2-yl)-3-hydroxypropanoate?
The InChIKey is RGJQSVMOPGCGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O4/c1-2-12-9(11)6-7(10)8-4-3-5-13-8/h3-5,7,10H,2,6H2,1H3.
What are the key properties of ethyl 3-(furan-2-yl)-3-hydroxypropanoate?
ethyl 3-(furan-2-yl)-3-hydroxypropanoate has a molecular weight of 184.19 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(furan-2-yl)-3-hydroxypropanoate is sourced from PubChem (CID 4738172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).