6-methylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione

C16H10O4 — CID 71652717

IUPAC6-methylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione
SMILESCc1ccc2c(c1)OC1(OC(=O)c3ccccc31)C2=O
InChIInChI=1S/C16H10O4/c1-9-6-7-11-13(8-9)19-16(14(11)17)12-5-3-2-4-10(12)15(18)20-16/h2-8H,1H3
InChIKeyHMKFDZUHYBHVTP-UHFFFAOYSA-N
MW266.25 g/mol
LogP2.59
Rot. Bonds

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

6-methylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione (PubChem CID 71652717) has the molecular formula C16H10O4 and a molecular weight of 266.25 g/mol. Its IUPAC name is 6-methylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione.

Molecular Properties

Compound Name6-methylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione
PubChem CID71652717
Molecular FormulaC16H10O4
Molecular Weight266.25 g/mol
Exact Mass266.06
IUPAC Name6-methylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione
SMILESCc1ccc2c(c1)OC1(OC(=O)c3ccccc31)C2=O
InChIInChI=1S/C16H10O4/c1-9-6-7-11-13(8-9)19-16(14(11)17)12-5-3-2-4-10(12)15(18)20-16/h2-8H,1H3
InChIKeyHMKFDZUHYBHVTP-UHFFFAOYSA-N
XLogP2.59
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione?
The IUPAC name of 6-methylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione (CID 71652717) is 6-methylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione.
What is the SMILES notation for 6-methylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione?
The canonical SMILES for 6-methylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione is Cc1ccc2c(c1)OC1(OC(=O)c3ccccc31)C2=O.
What is the InChIKey of 6-methylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione?
The InChIKey is HMKFDZUHYBHVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10O4/c1-9-6-7-11-13(8-9)19-16(14(11)17)12-5-3-2-4-10(12)15(18)20-16/h2-8H,1H3.
What are the key properties of 6-methylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione?
6-methylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione has a molecular weight of 266.25 g/mol, XLogP of 2.59, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylspiro[1-benzofuran-2,3'-2-benzofuran]-1',3-dione is sourced from PubChem (CID 71652717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).