3'-methyl-6'-propan-2-ylspiro[2-benzofuran-3,9'-xanthene]-1-one

C24H20O3 — CID 58112656

IUPAC3'-methyl-6'-propan-2-ylspiro[2-benzofuran-3,9'-xanthene]-1-one
SMILESCc1ccc2c(c1)Oc1cc(C(C)C)ccc1C21OC(=O)c2ccccc21
InChIInChI=1S/C24H20O3/c1-14(2)16-9-11-20-22(13-16)26-21-12-15(3)8-10-19(21)24(20)18-7-5-4-6-17(18)23(25)27-24/h4-14H,1-3H3
InChIKeyJWPOMPYGRZSDAA-UHFFFAOYSA-N
MW356.42 g/mol
LogP5.69
Rot. Bonds1

About 3'-methyl-6'-propan-2-ylspiro[2-benzofuran-3,9'-xanthene]-1-one

3'-methyl-6'-propan-2-ylspiro[2-benzofuran-3,9'-xanthene]-1-one (PubChem CID 58112656) has the molecular formula C24H20O3 and a molecular weight of 356.42 g/mol. Its IUPAC name is 3'-methyl-6'-propan-2-ylspiro[2-benzofuran-3,9'-xanthene]-1-one.

Molecular Properties

Compound Name3'-methyl-6'-propan-2-ylspiro[2-benzofuran-3,9'-xanthene]-1-one
PubChem CID58112656
Molecular FormulaC24H20O3
Molecular Weight356.42 g/mol
Exact Mass356.14
IUPAC Name3'-methyl-6'-propan-2-ylspiro[2-benzofuran-3,9'-xanthene]-1-one
SMILESCc1ccc2c(c1)Oc1cc(C(C)C)ccc1C21OC(=O)c2ccccc21
InChIInChI=1S/C24H20O3/c1-14(2)16-9-11-20-22(13-16)26-21-12-15(3)8-10-19(21)24(20)18-7-5-4-6-17(18)23(25)27-24/h4-14H,1-3H3
InChIKeyJWPOMPYGRZSDAA-UHFFFAOYSA-N
XLogP5.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.42
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3'-methyl-6'-(2-methylpropoxy)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 159193234
(6'-methyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) acetate
CID 89432471
3',6'-bis(dimethylamino)-6-propan-2-ylspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 134168396
2'-anilino-3'-methyl-6'-(4-propan-2-ylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139806322
3,3-bis(4-methylphenyl)-2-benzofuran-1-one;9,9-bis(4-methylphenyl)fluorene;3',6'-dimethylspiro[anthracene-10,9'-xanthene]-9-one;3',6'-dimethylspiro[fluorene-9,9'-xanthene]
CID 161444479
3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;N,N-dimethylmethanamine
CID 174621018
bis(3',6'-bis(dimethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one);ethane
CID 158025143
cadmium;3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 174867463
potassium (6'-azanidyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl)azanide
CID 20775252
3',6'-bis[(2,4-dimethylphenyl)methylamino]spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 58252919
3'-tert-butylspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 19829084
1'-[cyclohexyl(methyl)amino]-6'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139660828

Frequently Asked Questions

What is the IUPAC name of 3'-methyl-6'-propan-2-ylspiro[2-benzofuran-3,9'-xanthene]-1-one?
The IUPAC name of 3'-methyl-6'-propan-2-ylspiro[2-benzofuran-3,9'-xanthene]-1-one (CID 58112656) is 3'-methyl-6'-propan-2-ylspiro[2-benzofuran-3,9'-xanthene]-1-one.
What is the SMILES notation for 3'-methyl-6'-propan-2-ylspiro[2-benzofuran-3,9'-xanthene]-1-one?
The canonical SMILES for 3'-methyl-6'-propan-2-ylspiro[2-benzofuran-3,9'-xanthene]-1-one is Cc1ccc2c(c1)Oc1cc(C(C)C)ccc1C21OC(=O)c2ccccc21.
What is the InChIKey of 3'-methyl-6'-propan-2-ylspiro[2-benzofuran-3,9'-xanthene]-1-one?
The InChIKey is JWPOMPYGRZSDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O3/c1-14(2)16-9-11-20-22(13-16)26-21-12-15(3)8-10-19(21)24(20)18-7-5-4-6-17(18)23(25)27-24/h4-14H,1-3H3.
What are the key properties of 3'-methyl-6'-propan-2-ylspiro[2-benzofuran-3,9'-xanthene]-1-one?
3'-methyl-6'-propan-2-ylspiro[2-benzofuran-3,9'-xanthene]-1-one has a molecular weight of 356.42 g/mol, XLogP of 5.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-methyl-6'-propan-2-ylspiro[2-benzofuran-3,9'-xanthene]-1-one is sourced from PubChem (CID 58112656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).