3'-tert-butylspiro[2-benzofuran-3,9'-xanthene]-1-one

C24H20O3 — CID 19829084

IUPAC3'-tert-butylspiro[2-benzofuran-3,9'-xanthene]-1-one
SMILESCC(C)(C)c1ccc2c(c1)Oc1ccccc1C21OC(=O)c2ccccc21
InChIInChI=1S/C24H20O3/c1-23(2,3)15-12-13-19-21(14-15)26-20-11-7-6-10-18(20)24(19)17-9-5-4-8-16(17)22(25)27-24/h4-14H,1-3H3
InChIKeyZSYWDCXAMULQHI-UHFFFAOYSA-N
MW356.42 g/mol
LogP5.55
Rot. Bonds

About 3'-tert-butylspiro[2-benzofuran-3,9'-xanthene]-1-one

3'-tert-butylspiro[2-benzofuran-3,9'-xanthene]-1-one (PubChem CID 19829084) has the molecular formula C24H20O3 and a molecular weight of 356.42 g/mol. Its IUPAC name is 3'-tert-butylspiro[2-benzofuran-3,9'-xanthene]-1-one.

Molecular Properties

Compound Name3'-tert-butylspiro[2-benzofuran-3,9'-xanthene]-1-one
PubChem CID19829084
Molecular FormulaC24H20O3
Molecular Weight356.42 g/mol
Exact Mass356.14
IUPAC Name3'-tert-butylspiro[2-benzofuran-3,9'-xanthene]-1-one
SMILESCC(C)(C)c1ccc2c(c1)Oc1ccccc1C21OC(=O)c2ccccc21
InChIInChI=1S/C24H20O3/c1-23(2,3)15-12-13-19-21(14-15)26-20-11-7-6-10-18(20)24(19)17-9-5-4-8-16(17)22(25)27-24/h4-14H,1-3H3
InChIKeyZSYWDCXAMULQHI-UHFFFAOYSA-N
XLogP5.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.42
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3'-tert-butylspiro[2-benzofuran-3,9'-xanthene]-1-one?
The IUPAC name of 3'-tert-butylspiro[2-benzofuran-3,9'-xanthene]-1-one (CID 19829084) is 3'-tert-butylspiro[2-benzofuran-3,9'-xanthene]-1-one.
What is the SMILES notation for 3'-tert-butylspiro[2-benzofuran-3,9'-xanthene]-1-one?
The canonical SMILES for 3'-tert-butylspiro[2-benzofuran-3,9'-xanthene]-1-one is CC(C)(C)c1ccc2c(c1)Oc1ccccc1C21OC(=O)c2ccccc21.
What is the InChIKey of 3'-tert-butylspiro[2-benzofuran-3,9'-xanthene]-1-one?
The InChIKey is ZSYWDCXAMULQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O3/c1-23(2,3)15-12-13-19-21(14-15)26-20-11-7-6-10-18(20)24(19)17-9-5-4-8-16(17)22(25)27-24/h4-14H,1-3H3.
What are the key properties of 3'-tert-butylspiro[2-benzofuran-3,9'-xanthene]-1-one?
3'-tert-butylspiro[2-benzofuran-3,9'-xanthene]-1-one has a molecular weight of 356.42 g/mol, XLogP of 5.55, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-tert-butylspiro[2-benzofuran-3,9'-xanthene]-1-one is sourced from PubChem (CID 19829084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).