3-(2-oxopropyl)-4-phenyl-6H-furo[3,4-g]chromene-2,8-dione

C20H14O5 — CID 23405760

IUPAC3-(2-oxopropyl)-4-phenyl-6H-furo[3,4-g]chromene-2,8-dione
SMILESCC(=O)Cc1c(-c2ccccc2)c2cc3c(cc2oc1=O)C(=O)OC3
InChIInChI=1S/C20H14O5/c1-11(21)7-16-18(12-5-3-2-4-6-12)15-8-13-10-24-19(22)14(13)9-17(15)25-20(16)23/h2-6,8-9H,7,10H2,1H3
InChIKeyGPBLXZGREHDHHX-UHFFFAOYSA-N
MW334.33 g/mol
LogP3.26
Rot. Bonds3

About 3-(2-oxopropyl)-4-phenyl-6H-furo[3,4-g]chromene-2,8-dione

3-(2-oxopropyl)-4-phenyl-6H-furo[3,4-g]chromene-2,8-dione (PubChem CID 23405760) has the molecular formula C20H14O5 and a molecular weight of 334.33 g/mol. Its IUPAC name is 3-(2-oxopropyl)-4-phenyl-6H-furo[3,4-g]chromene-2,8-dione.

Molecular Properties

Compound Name3-(2-oxopropyl)-4-phenyl-6H-furo[3,4-g]chromene-2,8-dione
PubChem CID23405760
Molecular FormulaC20H14O5
Molecular Weight334.33 g/mol
Exact Mass334.08
IUPAC Name3-(2-oxopropyl)-4-phenyl-6H-furo[3,4-g]chromene-2,8-dione
SMILESCC(=O)Cc1c(-c2ccccc2)c2cc3c(cc2oc1=O)C(=O)OC3
InChIInChI=1S/C20H14O5/c1-11(21)7-16-18(12-5-3-2-4-6-12)15-8-13-10-24-19(22)14(13)9-17(15)25-20(16)23/h2-6,8-9H,7,10H2,1H3
InChIKeyGPBLXZGREHDHHX-UHFFFAOYSA-N
XLogP3.26
TPSA73.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-oxopropyl)-4-phenyl-6H-furo[3,4-g]chromene-2,8-dione?
The IUPAC name of 3-(2-oxopropyl)-4-phenyl-6H-furo[3,4-g]chromene-2,8-dione (CID 23405760) is 3-(2-oxopropyl)-4-phenyl-6H-furo[3,4-g]chromene-2,8-dione.
What is the SMILES notation for 3-(2-oxopropyl)-4-phenyl-6H-furo[3,4-g]chromene-2,8-dione?
The canonical SMILES for 3-(2-oxopropyl)-4-phenyl-6H-furo[3,4-g]chromene-2,8-dione is CC(=O)Cc1c(-c2ccccc2)c2cc3c(cc2oc1=O)C(=O)OC3.
What is the InChIKey of 3-(2-oxopropyl)-4-phenyl-6H-furo[3,4-g]chromene-2,8-dione?
The InChIKey is GPBLXZGREHDHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O5/c1-11(21)7-16-18(12-5-3-2-4-6-12)15-8-13-10-24-19(22)14(13)9-17(15)25-20(16)23/h2-6,8-9H,7,10H2,1H3.
What are the key properties of 3-(2-oxopropyl)-4-phenyl-6H-furo[3,4-g]chromene-2,8-dione?
3-(2-oxopropyl)-4-phenyl-6H-furo[3,4-g]chromene-2,8-dione has a molecular weight of 334.33 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxopropyl)-4-phenyl-6H-furo[3,4-g]chromene-2,8-dione is sourced from PubChem (CID 23405760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).