3'-methyl-4'-phenylspiro[2-benzofuran-3,5'-oxolane]-1,2'-dione

C18H14O4 — CID 3498853

IUPAC3'-methyl-4'-phenylspiro[2-benzofuran-3,5'-oxolane]-1,2'-dione
SMILESCC1C(=O)OC2(OC(=O)c3ccccc32)C1c1ccccc1
InChIInChI=1S/C18H14O4/c1-11-15(12-7-3-2-4-8-12)18(21-16(11)19)14-10-6-5-9-13(14)17(20)22-18/h2-11,15H,1H3
InChIKeyBXDBUOVMHGFCQT-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.99
Rot. Bonds1

About 3'-methyl-4'-phenylspiro[2-benzofuran-3,5'-oxolane]-1,2'-dione

3'-methyl-4'-phenylspiro[2-benzofuran-3,5'-oxolane]-1,2'-dione (PubChem CID 3498853) has the molecular formula C18H14O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is 3'-methyl-4'-phenylspiro[2-benzofuran-3,5'-oxolane]-1,2'-dione.

Molecular Properties

Compound Name3'-methyl-4'-phenylspiro[2-benzofuran-3,5'-oxolane]-1,2'-dione
PubChem CID3498853
Molecular FormulaC18H14O4
Molecular Weight294.31 g/mol
Exact Mass294.09
IUPAC Name3'-methyl-4'-phenylspiro[2-benzofuran-3,5'-oxolane]-1,2'-dione
SMILESCC1C(=O)OC2(OC(=O)c3ccccc32)C1c1ccccc1
InChIInChI=1S/C18H14O4/c1-11-15(12-7-3-2-4-8-12)18(21-16(11)19)14-10-6-5-9-13(14)17(20)22-18/h2-11,15H,1H3
InChIKeyBXDBUOVMHGFCQT-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,3'S,4'S)-3'-methyl-4'-phenylspiro[2-benzofuran-3,5'-oxolane]-1,2'-dione
CID 100831818
benzene;3,3-dimethyl-2-benzofuran-1-one;ethane;methoxymethane
CID 91422174
4'-phenylspiro[2-benzofuran-3,3'-pyrrolidine]-1,2'-dione
CID 78158612
3-hydroxy-5,5-dimethyl-4-phenyloxolan-2-one
CID 18436228
3-methoxy-3-methyl-2-benzofuran-1-one
CID 15483639
3-benzyl-3-methoxy-2-benzofuran-1-one
CID 12637272
(3S)-3-methoxy-3-phenyl-2-benzofuran-1-one
CID 1224663
3-hydroxy-3-phenyl-2-benzofuran-1-one
CID 12677389
3,3-dimethyl-4-phenyl-4H-indeno[1,2-c]furan-1-one
CID 132942999
3-methyl-3-(4-phenylphenyl)-2-benzofuran-1-one
CID 100934650
1-iodo-3-oxo-2-benzofuran-1-carbonitrile
CID 121416104
3-hydroxy-3,4-dimethyl-4H-isochromen-1-one
CID 134855236

Frequently Asked Questions

What is the IUPAC name of 3'-methyl-4'-phenylspiro[2-benzofuran-3,5'-oxolane]-1,2'-dione?
The IUPAC name of 3'-methyl-4'-phenylspiro[2-benzofuran-3,5'-oxolane]-1,2'-dione (CID 3498853) is 3'-methyl-4'-phenylspiro[2-benzofuran-3,5'-oxolane]-1,2'-dione.
What is the SMILES notation for 3'-methyl-4'-phenylspiro[2-benzofuran-3,5'-oxolane]-1,2'-dione?
The canonical SMILES for 3'-methyl-4'-phenylspiro[2-benzofuran-3,5'-oxolane]-1,2'-dione is CC1C(=O)OC2(OC(=O)c3ccccc32)C1c1ccccc1.
What is the InChIKey of 3'-methyl-4'-phenylspiro[2-benzofuran-3,5'-oxolane]-1,2'-dione?
The InChIKey is BXDBUOVMHGFCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O4/c1-11-15(12-7-3-2-4-8-12)18(21-16(11)19)14-10-6-5-9-13(14)17(20)22-18/h2-11,15H,1H3.
What are the key properties of 3'-methyl-4'-phenylspiro[2-benzofuran-3,5'-oxolane]-1,2'-dione?
3'-methyl-4'-phenylspiro[2-benzofuran-3,5'-oxolane]-1,2'-dione has a molecular weight of 294.31 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-methyl-4'-phenylspiro[2-benzofuran-3,5'-oxolane]-1,2'-dione is sourced from PubChem (CID 3498853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).