7-benzoyl-8-phenylcyclohepta[b]furan-6-one

C22H14O3 — CID 122393884

IUPAC7-benzoyl-8-phenylcyclohepta[b]furan-6-one
SMILESO=C(c1ccccc1)c1c(-c2ccccc2)c2occc2ccc1=O
InChIInChI=1S/C22H14O3/c23-18-12-11-17-13-14-25-22(17)19(15-7-3-1-4-8-15)20(18)21(24)16-9-5-2-6-10-16/h1-14H
InChIKeyVQIVURWZMPKKLT-UHFFFAOYSA-N
MW326.35 g/mol
LogP4.69
Rot. Bonds3

About 7-benzoyl-8-phenylcyclohepta[b]furan-6-one

7-benzoyl-8-phenylcyclohepta[b]furan-6-one (PubChem CID 122393884) has the molecular formula C22H14O3 and a molecular weight of 326.35 g/mol. Its IUPAC name is 7-benzoyl-8-phenylcyclohepta[b]furan-6-one.

Molecular Properties

Compound Name7-benzoyl-8-phenylcyclohepta[b]furan-6-one
PubChem CID122393884
Molecular FormulaC22H14O3
Molecular Weight326.35 g/mol
Exact Mass326.09
IUPAC Name7-benzoyl-8-phenylcyclohepta[b]furan-6-one
SMILESO=C(c1ccccc1)c1c(-c2ccccc2)c2occc2ccc1=O
InChIInChI=1S/C22H14O3/c23-18-12-11-17-13-14-25-22(17)19(15-7-3-1-4-8-15)20(18)21(24)16-9-5-2-6-10-16/h1-14H
InChIKeyVQIVURWZMPKKLT-UHFFFAOYSA-N
XLogP4.69
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 6-oxo-8-(4-phenylphenyl)cyclohepta[b]furan-7-carboxylate
CID 122393893
7-benzoyl-6-phenylcyclohepta[b][1]benzofuran-8-one
CID 122393898
7-amino-8-benzoyl-5-phenylchromen-4-one
CID 154288384
3-benzoyl-4-phenylchromen-2-one
CID 629843
phenyl-(2,3,4-trihydroxy-5,6-diphenylphenyl)methanone
CID 172846091
diphenylmethanone;hydron;fluoride
CID 21465824
8-phenylfuro[3,2-h]chromen-6-one
CID 162925153
diphenylmethanone
CID 3102
phenyl-(4-phenylphenyl)methanone
CID 155775877
(3-chloro-5,6-diphenylpyridazin-4-yl)-phenylmethanone
CID 10571236
1-[4-hydroxy-5-methyl-7-(4-phenylphenyl)-1-benzofuran-6-yl]ethanone
CID 134848098
4-benzoyl-5-phenyl(2,3-13C2)furan-2,3-dione
CID 11680721

Frequently Asked Questions

What is the IUPAC name of 7-benzoyl-8-phenylcyclohepta[b]furan-6-one?
The IUPAC name of 7-benzoyl-8-phenylcyclohepta[b]furan-6-one (CID 122393884) is 7-benzoyl-8-phenylcyclohepta[b]furan-6-one.
What is the SMILES notation for 7-benzoyl-8-phenylcyclohepta[b]furan-6-one?
The canonical SMILES for 7-benzoyl-8-phenylcyclohepta[b]furan-6-one is O=C(c1ccccc1)c1c(-c2ccccc2)c2occc2ccc1=O.
What is the InChIKey of 7-benzoyl-8-phenylcyclohepta[b]furan-6-one?
The InChIKey is VQIVURWZMPKKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14O3/c23-18-12-11-17-13-14-25-22(17)19(15-7-3-1-4-8-15)20(18)21(24)16-9-5-2-6-10-16/h1-14H.
What are the key properties of 7-benzoyl-8-phenylcyclohepta[b]furan-6-one?
7-benzoyl-8-phenylcyclohepta[b]furan-6-one has a molecular weight of 326.35 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzoyl-8-phenylcyclohepta[b]furan-6-one is sourced from PubChem (CID 122393884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).