ethyl furan-2-carboxylate

C7H8O3 — CID 11980

IUPACethyl furan-2-carboxylate
SMILESCCOC(=O)c1ccco1
InChIInChI=1S/C7H8O3/c1-2-9-7(8)6-4-3-5-10-6/h3-5H,2H2,1H3
InChIKeyNHXSTXWKZVAVOQ-UHFFFAOYSA-N
MW140.14 g/mol
LogP1.46
Rot. Bonds2

About ethyl furan-2-carboxylate

ethyl furan-2-carboxylate (PubChem CID 11980) has the molecular formula C7H8O3 and a molecular weight of 140.14 g/mol. Its IUPAC name is ethyl furan-2-carboxylate.

Molecular Properties

Compound Nameethyl furan-2-carboxylate
PubChem CID11980
Molecular FormulaC7H8O3
Molecular Weight140.14 g/mol
Exact Mass140.05
IUPAC Nameethyl furan-2-carboxylate
SMILESCCOC(=O)c1ccco1
InChIInChI=1S/C7H8O3/c1-2-9-7(8)6-4-3-5-10-6/h3-5H,2H2,1H3
InChIKeyNHXSTXWKZVAVOQ-UHFFFAOYSA-N
XLogP1.46
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Furfural
CID 7362
Furfuryl Alcohol
CID 7361
2-Methylfuran
CID 10797
Methyl 2-furoate
CID 11902
5-Methylfurfural
CID 12097
Furfural acetate
CID 12170
2-Acetylfuran
CID 14505
2-Furancarboxylic acid
CID 6919
Furfuryl butyrate
CID 61167
2-Furyl pentyl ketone
CID 61738
2-Butyrylfuran
CID 228588
2-Pentanoylfuran
CID 231325

Frequently Asked Questions

What is the IUPAC name of ethyl furan-2-carboxylate?
The IUPAC name of ethyl furan-2-carboxylate (CID 11980) is ethyl furan-2-carboxylate.
What is the SMILES notation for ethyl furan-2-carboxylate?
The canonical SMILES for ethyl furan-2-carboxylate is CCOC(=O)c1ccco1.
What is the InChIKey of ethyl furan-2-carboxylate?
The InChIKey is NHXSTXWKZVAVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O3/c1-2-9-7(8)6-4-3-5-10-6/h3-5H,2H2,1H3.
What are the key properties of ethyl furan-2-carboxylate?
ethyl furan-2-carboxylate has a molecular weight of 140.14 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl furan-2-carboxylate is sourced from PubChem (CID 11980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).