3-(2-oxocyclohepta[b]furan-3-yl)cyclohepta[b]furan-2-one

C18H10O4 — CID 102393739

IUPAC3-(2-oxocyclohepta[b]furan-3-yl)cyclohepta[b]furan-2-one
SMILESO=c1oc2cccccc-2c1-c1c2cccccc-2oc1=O
InChIInChI=1S/C18H10O4/c19-17-15(11-7-3-1-5-9-13(11)21-17)16-12-8-4-2-6-10-14(12)22-18(16)20/h1-10H
InChIKeyZFCGWYTXKJWVAM-UHFFFAOYSA-N
MW290.27 g/mol
LogP3.47
Rot. Bonds1

About 3-(2-oxocyclohepta[b]furan-3-yl)cyclohepta[b]furan-2-one

3-(2-oxocyclohepta[b]furan-3-yl)cyclohepta[b]furan-2-one (PubChem CID 102393739) has the molecular formula C18H10O4 and a molecular weight of 290.27 g/mol. Its IUPAC name is 3-(2-oxocyclohepta[b]furan-3-yl)cyclohepta[b]furan-2-one.

Molecular Properties

Compound Name3-(2-oxocyclohepta[b]furan-3-yl)cyclohepta[b]furan-2-one
PubChem CID102393739
Molecular FormulaC18H10O4
Molecular Weight290.27 g/mol
Exact Mass290.06
IUPAC Name3-(2-oxocyclohepta[b]furan-3-yl)cyclohepta[b]furan-2-one
SMILESO=c1oc2cccccc-2c1-c1c2cccccc-2oc1=O
InChIInChI=1S/C18H10O4/c19-17-15(11-7-3-1-5-9-13(11)21-17)16-12-8-4-2-6-10-14(12)22-18(16)20/h1-10H
InChIKeyZFCGWYTXKJWVAM-UHFFFAOYSA-N
XLogP3.47
TPSA60.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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2-benzofuran-1,3-dione
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anthracene-9,10-dione;hydrate;hydrochloride
CID 177309925
3-(4-methylsulfonylphenyl)-4,6-diphenylpyran-2-one
CID 11475133
3-naphthalen-1-ylisochromen-1-one
CID 46868593
(3E)-5-fluoro-3-[(2-oxocyclohepta[b]furan-3-yl)methylidene]-1H-indol-2-one
CID 87504644
6-[4-(diethylamino)phenyl]-3,4-diphenylpyran-2-one
CID 71350905

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxocyclohepta[b]furan-3-yl)cyclohepta[b]furan-2-one?
The IUPAC name of 3-(2-oxocyclohepta[b]furan-3-yl)cyclohepta[b]furan-2-one (CID 102393739) is 3-(2-oxocyclohepta[b]furan-3-yl)cyclohepta[b]furan-2-one.
What is the SMILES notation for 3-(2-oxocyclohepta[b]furan-3-yl)cyclohepta[b]furan-2-one?
The canonical SMILES for 3-(2-oxocyclohepta[b]furan-3-yl)cyclohepta[b]furan-2-one is O=c1oc2cccccc-2c1-c1c2cccccc-2oc1=O.
What is the InChIKey of 3-(2-oxocyclohepta[b]furan-3-yl)cyclohepta[b]furan-2-one?
The InChIKey is ZFCGWYTXKJWVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10O4/c19-17-15(11-7-3-1-5-9-13(11)21-17)16-12-8-4-2-6-10-14(12)22-18(16)20/h1-10H.
What are the key properties of 3-(2-oxocyclohepta[b]furan-3-yl)cyclohepta[b]furan-2-one?
3-(2-oxocyclohepta[b]furan-3-yl)cyclohepta[b]furan-2-one has a molecular weight of 290.27 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxocyclohepta[b]furan-3-yl)cyclohepta[b]furan-2-one is sourced from PubChem (CID 102393739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).