5H-phenanthro[9,10-b]furan-3,4-dione

C16H10O3 — CID 68600378

IUPAC5H-phenanthro[9,10-b]furan-3,4-dione
SMILESO=C1CC=Cc2c1c1c(c3ccccc23)OCC1=O
InChIInChI=1S/C16H10O3/c17-12-7-3-6-10-9-4-1-2-5-11(9)16-15(14(10)12)13(18)8-19-16/h1-6H,7-8H2
InChIKeyFTIPSANVZJVJPI-UHFFFAOYSA-N
MW250.25 g/mol
LogP3.01
Rot. Bonds

About 5H-phenanthro[9,10-b]furan-3,4-dione

5H-phenanthro[9,10-b]furan-3,4-dione (PubChem CID 68600378) has the molecular formula C16H10O3 and a molecular weight of 250.25 g/mol. Its IUPAC name is 5H-phenanthro[9,10-b]furan-3,4-dione.

Molecular Properties

Compound Name5H-phenanthro[9,10-b]furan-3,4-dione
PubChem CID68600378
Molecular FormulaC16H10O3
Molecular Weight250.25 g/mol
Exact Mass250.06
IUPAC Name5H-phenanthro[9,10-b]furan-3,4-dione
SMILESO=C1CC=Cc2c1c1c(c3ccccc23)OCC1=O
InChIInChI=1S/C16H10O3/c17-12-7-3-6-10-9-4-1-2-5-11(9)16-15(14(10)12)13(18)8-19-16/h1-6H,7-8H2
InChIKeyFTIPSANVZJVJPI-UHFFFAOYSA-N
XLogP3.01
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5H-phenanthro[9,10-b]furan-3,4-dione?
The IUPAC name of 5H-phenanthro[9,10-b]furan-3,4-dione (CID 68600378) is 5H-phenanthro[9,10-b]furan-3,4-dione.
What is the SMILES notation for 5H-phenanthro[9,10-b]furan-3,4-dione?
The canonical SMILES for 5H-phenanthro[9,10-b]furan-3,4-dione is O=C1CC=Cc2c1c1c(c3ccccc23)OCC1=O.
What is the InChIKey of 5H-phenanthro[9,10-b]furan-3,4-dione?
The InChIKey is FTIPSANVZJVJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10O3/c17-12-7-3-6-10-9-4-1-2-5-11(9)16-15(14(10)12)13(18)8-19-16/h1-6H,7-8H2.
What are the key properties of 5H-phenanthro[9,10-b]furan-3,4-dione?
5H-phenanthro[9,10-b]furan-3,4-dione has a molecular weight of 250.25 g/mol, XLogP of 3.01, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-phenanthro[9,10-b]furan-3,4-dione is sourced from PubChem (CID 68600378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).