2-propan-2-ylfuro[3,2-g]chromene-3,7-dione

C14H12O4 — CID 2841563

IUPAC2-propan-2-ylfuro[3,2-g]chromene-3,7-dione
SMILESCC(C)C1Oc2cc3oc(=O)ccc3cc2C1=O
InChIInChI=1S/C14H12O4/c1-7(2)14-13(16)9-5-8-3-4-12(15)17-10(8)6-11(9)18-14/h3-7,14H,1-2H3
InChIKeyPYTXVUBIYABGPG-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.39
Rot. Bonds1

About 2-propan-2-ylfuro[3,2-g]chromene-3,7-dione

2-propan-2-ylfuro[3,2-g]chromene-3,7-dione (PubChem CID 2841563) has the molecular formula C14H12O4 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-propan-2-ylfuro[3,2-g]chromene-3,7-dione.

Molecular Properties

Compound Name2-propan-2-ylfuro[3,2-g]chromene-3,7-dione
PubChem CID2841563
Molecular FormulaC14H12O4
Molecular Weight244.25 g/mol
Exact Mass244.07
IUPAC Name2-propan-2-ylfuro[3,2-g]chromene-3,7-dione
SMILESCC(C)C1Oc2cc3oc(=O)ccc3cc2C1=O
InChIInChI=1S/C14H12O4/c1-7(2)14-13(16)9-5-8-3-4-12(15)17-10(8)6-11(9)18-14/h3-7,14H,1-2H3
InChIKeyPYTXVUBIYABGPG-UHFFFAOYSA-N
XLogP2.39
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylfuro[3,2-g]chromene-3,7-dione?
The IUPAC name of 2-propan-2-ylfuro[3,2-g]chromene-3,7-dione (CID 2841563) is 2-propan-2-ylfuro[3,2-g]chromene-3,7-dione.
What is the SMILES notation for 2-propan-2-ylfuro[3,2-g]chromene-3,7-dione?
The canonical SMILES for 2-propan-2-ylfuro[3,2-g]chromene-3,7-dione is CC(C)C1Oc2cc3oc(=O)ccc3cc2C1=O.
What is the InChIKey of 2-propan-2-ylfuro[3,2-g]chromene-3,7-dione?
The InChIKey is PYTXVUBIYABGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O4/c1-7(2)14-13(16)9-5-8-3-4-12(15)17-10(8)6-11(9)18-14/h3-7,14H,1-2H3.
What are the key properties of 2-propan-2-ylfuro[3,2-g]chromene-3,7-dione?
2-propan-2-ylfuro[3,2-g]chromene-3,7-dione has a molecular weight of 244.25 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylfuro[3,2-g]chromene-3,7-dione is sourced from PubChem (CID 2841563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).