3-benzoylcyclohepta[b]furan-2-one

C16H10O3 — CID 139790791

IUPAC3-benzoylcyclohepta[b]furan-2-one
SMILESO=C(c1ccccc1)c1c2cccccc-2oc1=O
InChIInChI=1S/C16H10O3/c17-15(11-7-3-1-4-8-11)14-12-9-5-2-6-10-13(12)19-16(14)18/h1-10H
InChIKeyZSDTZHNTZWEQMB-UHFFFAOYSA-N
MW250.25 g/mol
LogP2.98
Rot. Bonds2

About 3-benzoylcyclohepta[b]furan-2-one

3-benzoylcyclohepta[b]furan-2-one (PubChem CID 139790791) has the molecular formula C16H10O3 and a molecular weight of 250.25 g/mol. Its IUPAC name is 3-benzoylcyclohepta[b]furan-2-one.

Molecular Properties

Compound Name3-benzoylcyclohepta[b]furan-2-one
PubChem CID139790791
Molecular FormulaC16H10O3
Molecular Weight250.25 g/mol
Exact Mass250.06
IUPAC Name3-benzoylcyclohepta[b]furan-2-one
SMILESO=C(c1ccccc1)c1c2cccccc-2oc1=O
InChIInChI=1S/C16H10O3/c17-15(11-7-3-1-4-8-11)14-12-9-5-2-6-10-13(12)19-16(14)18/h1-10H
InChIKeyZSDTZHNTZWEQMB-UHFFFAOYSA-N
XLogP2.98
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-benzoylcyclohepta[b]furan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-oxocyclohepta[b]furan-3-yl)cyclohepta[b]furan-2-one
CID 102393739
bis(diphenylmethanone);dihydrochloride
CID 69107757
diphenylmethanone
CID 3102
3-benzoyl-4-hydroxychromen-2-one
CID 135407308
3-benzoyl-4-phenylchromen-2-one
CID 629843
diphenylmethanone;gold
CID 174931146
cobalt(2+);diphenylmethanone
CID 19033779
disodium;diphenylmethanone
CID 19380838
(5-benzoylfuran-2-yl)-phenylmethanone
CID 22336637
dimethyl-(2-oxocyclohepta[b]furan-3-yl)sulfanium
CID 102393733
3-benzoyl-1,2-dimethylbenzo[f]indole-4,9-dione
CID 10711417
(4-benzoyl-2,5-diphenylfuran-3-yl) nitrate
CID 134835808

Frequently Asked Questions

What is the IUPAC name of 3-benzoylcyclohepta[b]furan-2-one?
The IUPAC name of 3-benzoylcyclohepta[b]furan-2-one (CID 139790791) is 3-benzoylcyclohepta[b]furan-2-one.
What is the SMILES notation for 3-benzoylcyclohepta[b]furan-2-one?
The canonical SMILES for 3-benzoylcyclohepta[b]furan-2-one is O=C(c1ccccc1)c1c2cccccc-2oc1=O.
What is the InChIKey of 3-benzoylcyclohepta[b]furan-2-one?
The InChIKey is ZSDTZHNTZWEQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10O3/c17-15(11-7-3-1-4-8-11)14-12-9-5-2-6-10-13(12)19-16(14)18/h1-10H.
What are the key properties of 3-benzoylcyclohepta[b]furan-2-one?
3-benzoylcyclohepta[b]furan-2-one has a molecular weight of 250.25 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoylcyclohepta[b]furan-2-one is sourced from PubChem (CID 139790791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).