6'-methoxy-3'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-4'-carbaldehyde

C23H16O5 — CID 170415482

IUPAC6'-methoxy-3'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-4'-carbaldehyde
SMILESCOc1ccc2c(c1)Oc1c(ccc(C)c1C=O)C21OC(=O)c2ccccc21
InChIInChI=1S/C23H16O5/c1-13-7-9-19-21(16(13)12-24)27-20-11-14(26-2)8-10-18(20)23(19)17-6-4-3-5-15(17)22(25)28-23/h3-12H,1-2H3
InChIKeyGOUOHOZXSOLEMY-UHFFFAOYSA-N
MW372.38 g/mol
LogP4.38
Rot. Bonds2

About 6'-methoxy-3'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-4'-carbaldehyde

6'-methoxy-3'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-4'-carbaldehyde (PubChem CID 170415482) has the molecular formula C23H16O5 and a molecular weight of 372.38 g/mol. Its IUPAC name is 6'-methoxy-3'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-4'-carbaldehyde.

Molecular Properties

Compound Name6'-methoxy-3'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-4'-carbaldehyde
PubChem CID170415482
Molecular FormulaC23H16O5
Molecular Weight372.38 g/mol
Exact Mass372.10
IUPAC Name6'-methoxy-3'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-4'-carbaldehyde
SMILESCOc1ccc2c(c1)Oc1c(ccc(C)c1C=O)C21OC(=O)c2ccccc21
InChIInChI=1S/C23H16O5/c1-13-7-9-19-21(16(13)12-24)27-20-11-14(26-2)8-10-18(20)23(19)17-6-4-3-5-15(17)22(25)28-23/h3-12H,1-2H3
InChIKeyGOUOHOZXSOLEMY-UHFFFAOYSA-N
XLogP4.38
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3'-hydroxy-6'-methoxyspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 18364099
3'-(hydroxymethyl)-6'-methoxyspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 58299391
[4'-(hydroxymethyl)-6'-methoxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl] dihydrogen phosphate
CID 155410904
(6'-methoxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) hydrogen phosphate
CID 42614803
3',6'-bis(4-methoxyanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 21242146
3'-tert-butyl-6'-hydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;3'-tert-butyl-6'-methoxyspiro[2-benzofuran-3,9'-xanthene]-1-one;methane
CID 158761491
tert-butyl 6'-methoxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-carboperoxoate
CID 139620200
(6'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) acetate
CID 89432471
O-(6'-methoxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) (benzyldisulfanyl)methanethioate
CID 153370334
3'-methyl-6'-(2-methylpropoxy)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 159193234
3'-amino-5-methoxy-6'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 118336632
4'-(fluoromethyl)-3'-[(4R,5R,6R)-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-6'-methoxyspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 155411167

Frequently Asked Questions

What is the IUPAC name of 6'-methoxy-3'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-4'-carbaldehyde?
The IUPAC name of 6'-methoxy-3'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-4'-carbaldehyde (CID 170415482) is 6'-methoxy-3'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-4'-carbaldehyde.
What is the SMILES notation for 6'-methoxy-3'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-4'-carbaldehyde?
The canonical SMILES for 6'-methoxy-3'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-4'-carbaldehyde is COc1ccc2c(c1)Oc1c(ccc(C)c1C=O)C21OC(=O)c2ccccc21.
What is the InChIKey of 6'-methoxy-3'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-4'-carbaldehyde?
The InChIKey is GOUOHOZXSOLEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16O5/c1-13-7-9-19-21(16(13)12-24)27-20-11-14(26-2)8-10-18(20)23(19)17-6-4-3-5-15(17)22(25)28-23/h3-12H,1-2H3.
What are the key properties of 6'-methoxy-3'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-4'-carbaldehyde?
6'-methoxy-3'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-4'-carbaldehyde has a molecular weight of 372.38 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-methoxy-3'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-4'-carbaldehyde is sourced from PubChem (CID 170415482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).