5',10'-dimethoxyspiro[2-benzofuran-3,1'-benzo[g]isochromene]-1-one

C22H16O5 — CID 10473670

IUPAC5',10'-dimethoxyspiro[2-benzofuran-3,1'-benzo[g]isochromene]-1-one
SMILESCOc1c2c(c(OC)c3ccccc13)C1(OC=C2)OC(=O)c2ccccc21
InChIInChI=1S/C22H16O5/c1-24-19-13-7-3-4-8-14(13)20(25-2)18-16(19)11-12-26-22(18)17-10-6-5-9-15(17)21(23)27-22/h3-12H,1-2H3
InChIKeyVHSFHIWKPNFBCM-UHFFFAOYSA-N
MW360.37 g/mol
LogP4.23
Rot. Bonds2

About 5',10'-dimethoxyspiro[2-benzofuran-3,1'-benzo[g]isochromene]-1-one

5',10'-dimethoxyspiro[2-benzofuran-3,1'-benzo[g]isochromene]-1-one (PubChem CID 10473670) has the molecular formula C22H16O5 and a molecular weight of 360.37 g/mol. Its IUPAC name is 5',10'-dimethoxyspiro[2-benzofuran-3,1'-benzo[g]isochromene]-1-one.

Molecular Properties

Compound Name5',10'-dimethoxyspiro[2-benzofuran-3,1'-benzo[g]isochromene]-1-one
PubChem CID10473670
Molecular FormulaC22H16O5
Molecular Weight360.37 g/mol
Exact Mass360.10
IUPAC Name5',10'-dimethoxyspiro[2-benzofuran-3,1'-benzo[g]isochromene]-1-one
SMILESCOc1c2c(c(OC)c3ccccc13)C1(OC=C2)OC(=O)c2ccccc21
InChIInChI=1S/C22H16O5/c1-24-19-13-7-3-4-8-14(13)20(25-2)18-16(19)11-12-26-22(18)17-10-6-5-9-15(17)21(23)27-22/h3-12H,1-2H3
InChIKeyVHSFHIWKPNFBCM-UHFFFAOYSA-N
XLogP4.23
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-3-methyl-2-benzofuran-1-one
CID 15483639
benzene;3,3-dimethyl-2-benzofuran-1-one;ethane;methoxymethane
CID 91422174
(3S)-3-methyl-3-(4-methylnaphthalen-1-yl)-2-benzofuran-1-one
CID 125478546
3-benzyl-3-methoxy-2-benzofuran-1-one
CID 12637272
(3S)-3-methoxy-3-phenyl-2-benzofuran-1-one
CID 1224663
3,3-bis(3,8-dimethoxynaphthalen-2-yl)-2-benzofuran-1-one
CID 129396733
4'-(3-chlorophenyl)spiro[2-benzofuran-3,2'-furan]-1,3'-dione
CID 23454353
3-decyl-3-methyl-2-benzofuran-1-one
CID 139663911
3,3-bis(4-amino-2,3-dimethylphenyl)-2-benzofuran-1-one
CID 70116020
N,N-diethyl-2'-methyl-3,4'-dioxospiro[2-benzofuran-1,5'-furan]-3'-carboxamide
CID 132525720
6,8-dibromo-7-methoxyspiro[2,3-dihydrochromene-4,3'-2-benzofuran]-1'-one
CID 118124198
3,3-bis[3-(methoxymethyl)phenyl]-2-benzofuran-1-one
CID 138632201

Frequently Asked Questions

What is the IUPAC name of 5',10'-dimethoxyspiro[2-benzofuran-3,1'-benzo[g]isochromene]-1-one?
The IUPAC name of 5',10'-dimethoxyspiro[2-benzofuran-3,1'-benzo[g]isochromene]-1-one (CID 10473670) is 5',10'-dimethoxyspiro[2-benzofuran-3,1'-benzo[g]isochromene]-1-one.
What is the SMILES notation for 5',10'-dimethoxyspiro[2-benzofuran-3,1'-benzo[g]isochromene]-1-one?
The canonical SMILES for 5',10'-dimethoxyspiro[2-benzofuran-3,1'-benzo[g]isochromene]-1-one is COc1c2c(c(OC)c3ccccc13)C1(OC=C2)OC(=O)c2ccccc21.
What is the InChIKey of 5',10'-dimethoxyspiro[2-benzofuran-3,1'-benzo[g]isochromene]-1-one?
The InChIKey is VHSFHIWKPNFBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16O5/c1-24-19-13-7-3-4-8-14(13)20(25-2)18-16(19)11-12-26-22(18)17-10-6-5-9-15(17)21(23)27-22/h3-12H,1-2H3.
What are the key properties of 5',10'-dimethoxyspiro[2-benzofuran-3,1'-benzo[g]isochromene]-1-one?
5',10'-dimethoxyspiro[2-benzofuran-3,1'-benzo[g]isochromene]-1-one has a molecular weight of 360.37 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5',10'-dimethoxyspiro[2-benzofuran-3,1'-benzo[g]isochromene]-1-one is sourced from PubChem (CID 10473670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).