ethyl 6-oxo-8-(4-phenylphenyl)cyclohepta[b]furan-7-carboxylate

C24H18O4 — CID 122393893

IUPACethyl 6-oxo-8-(4-phenylphenyl)cyclohepta[b]furan-7-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(-c3ccccc3)cc2)c2occc2ccc1=O
InChIInChI=1S/C24H18O4/c1-2-27-24(26)22-20(25)13-12-19-14-15-28-23(19)21(22)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-15H,2H2,1H3
InChIKeyCSSLLSVJEJBXRB-UHFFFAOYSA-N
MW370.40 g/mol
LogP5.30
Rot. Bonds4

About ethyl 6-oxo-8-(4-phenylphenyl)cyclohepta[b]furan-7-carboxylate

ethyl 6-oxo-8-(4-phenylphenyl)cyclohepta[b]furan-7-carboxylate (PubChem CID 122393893) has the molecular formula C24H18O4 and a molecular weight of 370.40 g/mol. Its IUPAC name is ethyl 6-oxo-8-(4-phenylphenyl)cyclohepta[b]furan-7-carboxylate.

Molecular Properties

Compound Nameethyl 6-oxo-8-(4-phenylphenyl)cyclohepta[b]furan-7-carboxylate
PubChem CID122393893
Molecular FormulaC24H18O4
Molecular Weight370.40 g/mol
Exact Mass370.12
IUPAC Nameethyl 6-oxo-8-(4-phenylphenyl)cyclohepta[b]furan-7-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(-c3ccccc3)cc2)c2occc2ccc1=O
InChIInChI=1S/C24H18O4/c1-2-27-24(26)22-20(25)13-12-19-14-15-28-23(19)21(22)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-15H,2H2,1H3
InChIKeyCSSLLSVJEJBXRB-UHFFFAOYSA-N
XLogP5.30
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.40
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

diethyl 1-(4-bromophenyl)-4-phenylnaphthalene-2,3-dicarboxylate
CID 135018432
triethyl 5-methyl-4-phenylpyridine-2,3,6-tricarboxylate
CID 14469073
ethyl 3-amino-2,4-dicyano-5,6-diphenylbenzoate
CID 139180404
diethyl 4-amino-3,5-dicyano-6-phenylbenzene-1,2-dicarboxylate
CID 102230049
ethyl 2-ethyl-5-methyl-6-oxo-4-phenylpyran-3-carboxylate
CID 101231625
1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate
CID 174703430
ethyl 3-methyl-4-phenyl-1,2-oxazole-5-carboxylate
CID 14957307
diethyl 5-[3,5-bis(ethoxycarbonyl)-4-phenyl-1H-pyrrol-2-yl]-3-phenyl-1H-pyrrole-2,4-dicarboxylate
CID 11731481
ethyl 2-methyl-4-oxo-6-phenylchromene-3-carboxylate
CID 134867655
ethyl 2-chloro-4-phenylquinoline-3-carboxylate
CID 15669479
ethyl 2-methoxy-4,5-diphenylfuran-3-carboxylate
CID 11056368
ethyl 3-(4-chlorophenyl)-5-phenyl-1,2-oxazole-4-carboxylate
CID 131867124

Frequently Asked Questions

What is the IUPAC name of ethyl 6-oxo-8-(4-phenylphenyl)cyclohepta[b]furan-7-carboxylate?
The IUPAC name of ethyl 6-oxo-8-(4-phenylphenyl)cyclohepta[b]furan-7-carboxylate (CID 122393893) is ethyl 6-oxo-8-(4-phenylphenyl)cyclohepta[b]furan-7-carboxylate.
What is the SMILES notation for ethyl 6-oxo-8-(4-phenylphenyl)cyclohepta[b]furan-7-carboxylate?
The canonical SMILES for ethyl 6-oxo-8-(4-phenylphenyl)cyclohepta[b]furan-7-carboxylate is CCOC(=O)c1c(-c2ccc(-c3ccccc3)cc2)c2occc2ccc1=O.
What is the InChIKey of ethyl 6-oxo-8-(4-phenylphenyl)cyclohepta[b]furan-7-carboxylate?
The InChIKey is CSSLLSVJEJBXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O4/c1-2-27-24(26)22-20(25)13-12-19-14-15-28-23(19)21(22)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-15H,2H2,1H3.
What are the key properties of ethyl 6-oxo-8-(4-phenylphenyl)cyclohepta[b]furan-7-carboxylate?
ethyl 6-oxo-8-(4-phenylphenyl)cyclohepta[b]furan-7-carboxylate has a molecular weight of 370.40 g/mol, XLogP of 5.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-oxo-8-(4-phenylphenyl)cyclohepta[b]furan-7-carboxylate is sourced from PubChem (CID 122393893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).