[3,5-bis(furan-2-carbonyl)phenyl]-(furan-2-yl)methanone

C21H12O6 — CID 1211342

IUPAC[3,5-bis(furan-2-carbonyl)phenyl]-(furan-2-yl)methanone
SMILESO=C(c1cc(C(=O)c2ccco2)cc(C(=O)c2ccco2)c1)c1ccco1
InChIInChI=1S/C21H12O6/c22-19(16-4-1-7-25-16)13-10-14(20(23)17-5-2-8-26-17)12-15(11-13)21(24)18-6-3-9-27-18/h1-12H
InChIKeyUFUGAPUUZBWVEG-UHFFFAOYSA-N
MW360.32 g/mol
LogP4.16
Rot. Bonds6

About [3,5-bis(furan-2-carbonyl)phenyl]-(furan-2-yl)methanone

[3,5-bis(furan-2-carbonyl)phenyl]-(furan-2-yl)methanone (PubChem CID 1211342) has the molecular formula C21H12O6 and a molecular weight of 360.32 g/mol. Its IUPAC name is [3,5-bis(furan-2-carbonyl)phenyl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[3,5-bis(furan-2-carbonyl)phenyl]-(furan-2-yl)methanone
PubChem CID1211342
Molecular FormulaC21H12O6
Molecular Weight360.32 g/mol
Exact Mass360.06
IUPAC Name[3,5-bis(furan-2-carbonyl)phenyl]-(furan-2-yl)methanone
SMILESO=C(c1cc(C(=O)c2ccco2)cc(C(=O)c2ccco2)c1)c1ccco1
InChIInChI=1S/C21H12O6/c22-19(16-4-1-7-25-16)13-10-14(20(23)17-5-2-8-26-17)12-15(11-13)21(24)18-6-3-9-27-18/h1-12H
InChIKeyUFUGAPUUZBWVEG-UHFFFAOYSA-N
XLogP4.16
TPSA90.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.32
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-Benzofurancarboxaldehyde
CID 61341
Benzoic acid, 4-(5-formyl-2-furanyl)-, ethyl ester
CID 608139
5-(4-Fluoro-phenyl)-furan-2-carbaldehyde
CID 766117
3-(5-Formyl-2-furyl)benzoic acid
CID 612216
Elsholtziaketone
CID 521240
Dibenzo(b,d)furan-2-carboxaldehyde
CID 220843
5-(2,4-Difluorophenyl)furan-2-carbaldehyde
CID 592189
5-(3-(Trifluoromethyl)phenyl)furfural
CID 721837
5-(4-Methylphenyl)-2-furaldehyde
CID 960137
5-Phenyl-2-furaldehyde
CID 2769420
Isopropyl 3-(5-formyl-2-furyl)benzoate
CID 806394
(E)-1-(furan-2-yl)-3-phenylprop-2-en-1-one
CID 5705709

Frequently Asked Questions

What is the IUPAC name of [3,5-bis(furan-2-carbonyl)phenyl]-(furan-2-yl)methanone?
The IUPAC name of [3,5-bis(furan-2-carbonyl)phenyl]-(furan-2-yl)methanone (CID 1211342) is [3,5-bis(furan-2-carbonyl)phenyl]-(furan-2-yl)methanone.
What is the SMILES notation for [3,5-bis(furan-2-carbonyl)phenyl]-(furan-2-yl)methanone?
The canonical SMILES for [3,5-bis(furan-2-carbonyl)phenyl]-(furan-2-yl)methanone is O=C(c1cc(C(=O)c2ccco2)cc(C(=O)c2ccco2)c1)c1ccco1.
What is the InChIKey of [3,5-bis(furan-2-carbonyl)phenyl]-(furan-2-yl)methanone?
The InChIKey is UFUGAPUUZBWVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12O6/c22-19(16-4-1-7-25-16)13-10-14(20(23)17-5-2-8-26-17)12-15(11-13)21(24)18-6-3-9-27-18/h1-12H.
What are the key properties of [3,5-bis(furan-2-carbonyl)phenyl]-(furan-2-yl)methanone?
[3,5-bis(furan-2-carbonyl)phenyl]-(furan-2-yl)methanone has a molecular weight of 360.32 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis(furan-2-carbonyl)phenyl]-(furan-2-yl)methanone is sourced from PubChem (CID 1211342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).