3-tert-butyl-4,8,9-trimethylfuro[2,3-f]chromen-7-one

C18H20O3 — CID 907301

IUPAC3-tert-butyl-4,8,9-trimethylfuro[2,3-f]chromen-7-one
SMILESCc1c(C)c2c(cc(C)c3c(C(C)(C)C)coc32)oc1=O
InChIInChI=1S/C18H20O3/c1-9-7-13-15(10(2)11(3)17(19)21-13)16-14(9)12(8-20-16)18(4,5)6/h7-8H,1-6H3
InChIKeySNWLWBGYWGVIKM-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.76
Rot. Bonds

About 3-tert-butyl-4,8,9-trimethylfuro[2,3-f]chromen-7-one

3-tert-butyl-4,8,9-trimethylfuro[2,3-f]chromen-7-one (PubChem CID 907301) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-tert-butyl-4,8,9-trimethylfuro[2,3-f]chromen-7-one.

Molecular Properties

Compound Name3-tert-butyl-4,8,9-trimethylfuro[2,3-f]chromen-7-one
PubChem CID907301
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name3-tert-butyl-4,8,9-trimethylfuro[2,3-f]chromen-7-one
SMILESCc1c(C)c2c(cc(C)c3c(C(C)(C)C)coc32)oc1=O
InChIInChI=1S/C18H20O3/c1-9-7-13-15(10(2)11(3)17(19)21-13)16-14(9)12(8-20-16)18(4,5)6/h7-8H,1-6H3
InChIKeySNWLWBGYWGVIKM-UHFFFAOYSA-N
XLogP4.76
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.76
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 3-tert-butyl-4,8,9-trimethylfuro[2,3-f]chromen-7-one?
The IUPAC name of 3-tert-butyl-4,8,9-trimethylfuro[2,3-f]chromen-7-one (CID 907301) is 3-tert-butyl-4,8,9-trimethylfuro[2,3-f]chromen-7-one.
What is the SMILES notation for 3-tert-butyl-4,8,9-trimethylfuro[2,3-f]chromen-7-one?
The canonical SMILES for 3-tert-butyl-4,8,9-trimethylfuro[2,3-f]chromen-7-one is Cc1c(C)c2c(cc(C)c3c(C(C)(C)C)coc32)oc1=O.
What is the InChIKey of 3-tert-butyl-4,8,9-trimethylfuro[2,3-f]chromen-7-one?
The InChIKey is SNWLWBGYWGVIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-9-7-13-15(10(2)11(3)17(19)21-13)16-14(9)12(8-20-16)18(4,5)6/h7-8H,1-6H3.
What are the key properties of 3-tert-butyl-4,8,9-trimethylfuro[2,3-f]chromen-7-one?
3-tert-butyl-4,8,9-trimethylfuro[2,3-f]chromen-7-one has a molecular weight of 284.36 g/mol, XLogP of 4.76, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4,8,9-trimethylfuro[2,3-f]chromen-7-one is sourced from PubChem (CID 907301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).