propyl furan-2-carboxylate

C8H10O3 — CID 11982

IUPACpropyl furan-2-carboxylate
SMILESCCCOC(=O)c1ccco1
InChIInChI=1S/C8H10O3/c1-2-5-11-8(9)7-4-3-6-10-7/h3-4,6H,2,5H2,1H3
InChIKeyHSCVIIISAAEVQT-UHFFFAOYSA-N
MW154.16 g/mol
LogP1.85
Rot. Bonds3

About propyl furan-2-carboxylate

propyl furan-2-carboxylate (PubChem CID 11982) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is propyl furan-2-carboxylate.

Molecular Properties

Compound Namepropyl furan-2-carboxylate
PubChem CID11982
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Namepropyl furan-2-carboxylate
SMILESCCCOC(=O)c1ccco1
InChIInChI=1S/C8H10O3/c1-2-5-11-8(9)7-4-3-6-10-7/h3-4,6H,2,5H2,1H3
InChIKeyHSCVIIISAAEVQT-UHFFFAOYSA-N
XLogP1.85
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propyl furan-2-carboxylate?
The IUPAC name of propyl furan-2-carboxylate (CID 11982) is propyl furan-2-carboxylate.
What is the SMILES notation for propyl furan-2-carboxylate?
The canonical SMILES for propyl furan-2-carboxylate is CCCOC(=O)c1ccco1.
What is the InChIKey of propyl furan-2-carboxylate?
The InChIKey is HSCVIIISAAEVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c1-2-5-11-8(9)7-4-3-6-10-7/h3-4,6H,2,5H2,1H3.
What are the key properties of propyl furan-2-carboxylate?
propyl furan-2-carboxylate has a molecular weight of 154.16 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl furan-2-carboxylate is sourced from PubChem (CID 11982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).