3-(furan-2-yl)benzoate

C11H7O3- — CID 7023055

IUPAC3-(furan-2-yl)benzoate
SMILESO=C([O-])c1cccc(-c2ccco2)c1
InChIInChI=1S/C11H8O3/c12-11(13)9-4-1-3-8(7-9)10-5-2-6-14-10/h1-7H,(H,12,13)/p-1
InChIKeyRQVVFGRDMHDHNI-UHFFFAOYSA-M
MW187.17 g/mol
LogP1.31
Rot. Bonds2

About 3-(furan-2-yl)benzoate

3-(furan-2-yl)benzoate (PubChem CID 7023055) has the molecular formula C11H7O3- and a molecular weight of 187.17 g/mol. Its IUPAC name is 3-(furan-2-yl)benzoate.

Molecular Properties

Compound Name3-(furan-2-yl)benzoate
PubChem CID7023055
Molecular FormulaC11H7O3-
Molecular Weight187.17 g/mol
Exact Mass187.04
IUPAC Name3-(furan-2-yl)benzoate
SMILESO=C([O-])c1cccc(-c2ccco2)c1
InChIInChI=1S/C11H8O3/c12-11(13)9-4-1-3-8(7-9)10-5-2-6-14-10/h1-7H,(H,12,13)/p-1
InChIKeyRQVVFGRDMHDHNI-UHFFFAOYSA-M
XLogP1.31
TPSA53.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.17
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(furan-2-yl)phenyl]benzoic acid
CID 168527049
N-cyclopropyl-3-(furan-2-yl)benzamide
CID 168525147
3-(furan-2-yl)-N-methyl-N-phenylbenzamide
CID 168526169
3-(furan-2-yl)-N-(2,2,2-trifluoroethyl)benzamide
CID 168526489
2,3-dihydro-1,4-benzodioxin-6-yl-[3-(furan-2-yl)phenyl]methanone
CID 168528341
N-(4-anilinophenyl)-3-(furan-2-yl)benzamide
CID 168528867
N-butyl-3-(furan-2-yl)benzamide;propane
CID 159057604
[3-(furan-2-yl)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 168524923
bis(benzene-1,3-dicarboxylate);ruthenium(4+)
CID 88500443
benzene-1,3-dicarboxylate;lead(2+)
CID 56842371
bis[3-(furan-2-yl)phenyl]diazene
CID 10519323
N-(5-chloro-2-methylphenyl)-3-(furan-2-yl)benzamide
CID 168527887

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)benzoate?
The IUPAC name of 3-(furan-2-yl)benzoate (CID 7023055) is 3-(furan-2-yl)benzoate.
What is the SMILES notation for 3-(furan-2-yl)benzoate?
The canonical SMILES for 3-(furan-2-yl)benzoate is O=C([O-])c1cccc(-c2ccco2)c1.
What is the InChIKey of 3-(furan-2-yl)benzoate?
The InChIKey is RQVVFGRDMHDHNI-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H8O3/c12-11(13)9-4-1-3-8(7-9)10-5-2-6-14-10/h1-7H,(H,12,13)/p-1.
What are the key properties of 3-(furan-2-yl)benzoate?
3-(furan-2-yl)benzoate has a molecular weight of 187.17 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)benzoate is sourced from PubChem (CID 7023055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).