6-propan-2-ylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione

C18H14O4 — CID 71652565

IUPAC6-propan-2-ylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione
SMILESCC(C)c1ccc2c(c1)OC1(OC(=O)c3ccccc31)C2=O
InChIInChI=1S/C18H14O4/c1-10(2)11-7-8-13-15(9-11)21-18(16(13)19)14-6-4-3-5-12(14)17(20)22-18/h3-10H,1-2H3
InChIKeyDUUGNCGZYCBXSJ-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.41
Rot. Bonds1

About 6-propan-2-ylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione

6-propan-2-ylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione (PubChem CID 71652565) has the molecular formula C18H14O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is 6-propan-2-ylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione.

Molecular Properties

Compound Name6-propan-2-ylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione
PubChem CID71652565
Molecular FormulaC18H14O4
Molecular Weight294.31 g/mol
Exact Mass294.09
IUPAC Name6-propan-2-ylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione
SMILESCC(C)c1ccc2c(c1)OC1(OC(=O)c3ccccc31)C2=O
InChIInChI=1S/C18H14O4/c1-10(2)11-7-8-13-15(9-11)21-18(16(13)19)14-6-4-3-5-12(14)17(20)22-18/h3-10H,1-2H3
InChIKeyDUUGNCGZYCBXSJ-UHFFFAOYSA-N
XLogP3.41
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-ylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione?
The IUPAC name of 6-propan-2-ylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione (CID 71652565) is 6-propan-2-ylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione.
What is the SMILES notation for 6-propan-2-ylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione?
The canonical SMILES for 6-propan-2-ylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione is CC(C)c1ccc2c(c1)OC1(OC(=O)c3ccccc31)C2=O.
What is the InChIKey of 6-propan-2-ylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione?
The InChIKey is DUUGNCGZYCBXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O4/c1-10(2)11-7-8-13-15(9-11)21-18(16(13)19)14-6-4-3-5-12(14)17(20)22-18/h3-10H,1-2H3.
What are the key properties of 6-propan-2-ylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione?
6-propan-2-ylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione has a molecular weight of 294.31 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-ylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione is sourced from PubChem (CID 71652565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).