2-(furan-2-yl)cyclohepta[b]pyran-4,9-dione

C14H8O4 — CID 13402805

IUPAC2-(furan-2-yl)cyclohepta[b]pyran-4,9-dione
SMILESO=c1cc(-c2ccco2)oc2c(=O)ccccc12
InChIInChI=1S/C14H8O4/c15-10-5-2-1-4-9-11(16)8-13(18-14(9)10)12-6-3-7-17-12/h1-8H
InChIKeyQZXKKEBAMSDNBA-UHFFFAOYSA-N
MW240.21 g/mol
LogP2.41
Rot. Bonds1

About 2-(furan-2-yl)cyclohepta[b]pyran-4,9-dione

2-(furan-2-yl)cyclohepta[b]pyran-4,9-dione (PubChem CID 13402805) has the molecular formula C14H8O4 and a molecular weight of 240.21 g/mol. Its IUPAC name is 2-(furan-2-yl)cyclohepta[b]pyran-4,9-dione.

Molecular Properties

Compound Name2-(furan-2-yl)cyclohepta[b]pyran-4,9-dione
PubChem CID13402805
Molecular FormulaC14H8O4
Molecular Weight240.21 g/mol
Exact Mass240.04
IUPAC Name2-(furan-2-yl)cyclohepta[b]pyran-4,9-dione
SMILESO=c1cc(-c2ccco2)oc2c(=O)ccccc12
InChIInChI=1S/C14H8O4/c15-10-5-2-1-4-9-11(16)8-13(18-14(9)10)12-6-3-7-17-12/h1-8H
InChIKeyQZXKKEBAMSDNBA-UHFFFAOYSA-N
XLogP2.41
TPSA60.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(furan-2-yl)-8-methyl-8H-pyrano[2,3-h]chromen-4-one
CID 131677098
2-(furan-2-yl)thiochromen-4-one
CID 154715436
2-(furan-2-yl)-6-phenylpyran-4-one
CID 10657547
8-phenylfuro[3,2-h]chromen-6-one
CID 162925153
furo[3,2-b]pyran-2-one
CID 66988439
ethane;2-(furan-2-yl)furan
CID 161366084
4-oxo-2-phenylchromene-8-carbaldehyde
CID 13233926
8-(hydroxymethyl)-2-phenylchromen-4-one
CID 141073629
2-(2-hydroxyphenyl)-8-methylchromen-4-one
CID 90123995
8-benzyl-2-phenylchromen-4-one
CID 69123022
4-bromo-2-(furan-2-yl)-7-methoxy-1-benzofuran
CID 86051374
2-(2-chlorophenyl)benzo[h]chromen-4-one
CID 11266772

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)cyclohepta[b]pyran-4,9-dione?
The IUPAC name of 2-(furan-2-yl)cyclohepta[b]pyran-4,9-dione (CID 13402805) is 2-(furan-2-yl)cyclohepta[b]pyran-4,9-dione.
What is the SMILES notation for 2-(furan-2-yl)cyclohepta[b]pyran-4,9-dione?
The canonical SMILES for 2-(furan-2-yl)cyclohepta[b]pyran-4,9-dione is O=c1cc(-c2ccco2)oc2c(=O)ccccc12.
What is the InChIKey of 2-(furan-2-yl)cyclohepta[b]pyran-4,9-dione?
The InChIKey is QZXKKEBAMSDNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8O4/c15-10-5-2-1-4-9-11(16)8-13(18-14(9)10)12-6-3-7-17-12/h1-8H.
What are the key properties of 2-(furan-2-yl)cyclohepta[b]pyran-4,9-dione?
2-(furan-2-yl)cyclohepta[b]pyran-4,9-dione has a molecular weight of 240.21 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)cyclohepta[b]pyran-4,9-dione is sourced from PubChem (CID 13402805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).