furan-2-yl benzoate

C11H8O3 — CID 5325846

IUPACfuran-2-yl benzoate
SMILESO=C(Oc1ccco1)c1ccccc1
InChIInChI=1S/C11H8O3/c12-11(9-5-2-1-3-6-9)14-10-7-4-8-13-10/h1-8H
InChIKeyHMUXGYCCWIHXMK-UHFFFAOYSA-N
MW188.18 g/mol
LogP2.50
Rot. Bonds2

About furan-2-yl benzoate

furan-2-yl benzoate (PubChem CID 5325846) has the molecular formula C11H8O3 and a molecular weight of 188.18 g/mol. Its IUPAC name is furan-2-yl benzoate.

Molecular Properties

Compound Namefuran-2-yl benzoate
PubChem CID5325846
Molecular FormulaC11H8O3
Molecular Weight188.18 g/mol
Exact Mass188.05
IUPAC Namefuran-2-yl benzoate
SMILESO=C(Oc1ccco1)c1ccccc1
InChIInChI=1S/C11H8O3/c12-11(9-5-2-1-3-6-9)14-10-7-4-8-13-10/h1-8H
InChIKeyHMUXGYCCWIHXMK-UHFFFAOYSA-N
XLogP2.50
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl benzoate?
The IUPAC name of furan-2-yl benzoate (CID 5325846) is furan-2-yl benzoate.
What is the SMILES notation for furan-2-yl benzoate?
The canonical SMILES for furan-2-yl benzoate is O=C(Oc1ccco1)c1ccccc1.
What is the InChIKey of furan-2-yl benzoate?
The InChIKey is HMUXGYCCWIHXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O3/c12-11(9-5-2-1-3-6-9)14-10-7-4-8-13-10/h1-8H.
What are the key properties of furan-2-yl benzoate?
furan-2-yl benzoate has a molecular weight of 188.18 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl benzoate is sourced from PubChem (CID 5325846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).