4,9-di(propan-2-yl)furo[3,2-g]chromen-7-one

C17H18O3 — CID 130420642

IUPAC4,9-di(propan-2-yl)furo[3,2-g]chromen-7-one
SMILESCC(C)c1c2ccoc2c(C(C)C)c2oc(=O)ccc12
InChIInChI=1S/C17H18O3/c1-9(2)14-11-5-6-13(18)20-17(11)15(10(3)4)16-12(14)7-8-19-16/h5-10H,1-4H3
InChIKeyYWQMMGDHOZRCKY-UHFFFAOYSA-N
MW270.33 g/mol
LogP4.79
Rot. Bonds2

About 4,9-di(propan-2-yl)furo[3,2-g]chromen-7-one

4,9-di(propan-2-yl)furo[3,2-g]chromen-7-one (PubChem CID 130420642) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4,9-di(propan-2-yl)furo[3,2-g]chromen-7-one.

Molecular Properties

Compound Name4,9-di(propan-2-yl)furo[3,2-g]chromen-7-one
PubChem CID130420642
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name4,9-di(propan-2-yl)furo[3,2-g]chromen-7-one
SMILESCC(C)c1c2ccoc2c(C(C)C)c2oc(=O)ccc12
InChIInChI=1S/C17H18O3/c1-9(2)14-11-5-6-13(18)20-17(11)15(10(3)4)16-12(14)7-8-19-16/h5-10H,1-4H3
InChIKeyYWQMMGDHOZRCKY-UHFFFAOYSA-N
XLogP4.79
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,9-di(propan-2-yl)furo[3,2-g]chromen-7-one?
The IUPAC name of 4,9-di(propan-2-yl)furo[3,2-g]chromen-7-one (CID 130420642) is 4,9-di(propan-2-yl)furo[3,2-g]chromen-7-one.
What is the SMILES notation for 4,9-di(propan-2-yl)furo[3,2-g]chromen-7-one?
The canonical SMILES for 4,9-di(propan-2-yl)furo[3,2-g]chromen-7-one is CC(C)c1c2ccoc2c(C(C)C)c2oc(=O)ccc12.
What is the InChIKey of 4,9-di(propan-2-yl)furo[3,2-g]chromen-7-one?
The InChIKey is YWQMMGDHOZRCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-9(2)14-11-5-6-13(18)20-17(11)15(10(3)4)16-12(14)7-8-19-16/h5-10H,1-4H3.
What are the key properties of 4,9-di(propan-2-yl)furo[3,2-g]chromen-7-one?
4,9-di(propan-2-yl)furo[3,2-g]chromen-7-one has a molecular weight of 270.33 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9-di(propan-2-yl)furo[3,2-g]chromen-7-one is sourced from PubChem (CID 130420642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).