4,6-dimethylspiro[2-benzofuran-3,9'-xanthene]-1-one

C22H16O3 — CID 70425072

IUPAC4,6-dimethylspiro[2-benzofuran-3,9'-xanthene]-1-one
SMILESCc1cc(C)c2c(c1)C(=O)OC21c2ccccc2Oc2ccccc21
InChIInChI=1S/C22H16O3/c1-13-11-14(2)20-15(12-13)21(23)25-22(20)16-7-3-5-9-18(16)24-19-10-6-4-8-17(19)22/h3-12H,1-2H3
InChIKeyZFXZVVOEWXGBKD-UHFFFAOYSA-N
MW328.37 g/mol
LogP4.87
Rot. Bonds

About 4,6-dimethylspiro[2-benzofuran-3,9'-xanthene]-1-one

4,6-dimethylspiro[2-benzofuran-3,9'-xanthene]-1-one (PubChem CID 70425072) has the molecular formula C22H16O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 4,6-dimethylspiro[2-benzofuran-3,9'-xanthene]-1-one.

Molecular Properties

Compound Name4,6-dimethylspiro[2-benzofuran-3,9'-xanthene]-1-one
PubChem CID70425072
Molecular FormulaC22H16O3
Molecular Weight328.37 g/mol
Exact Mass328.11
IUPAC Name4,6-dimethylspiro[2-benzofuran-3,9'-xanthene]-1-one
SMILESCc1cc(C)c2c(c1)C(=O)OC21c2ccccc2Oc2ccccc21
InChIInChI=1S/C22H16O3/c1-13-11-14(2)20-15(12-13)21(23)25-22(20)16-7-3-5-9-18(16)24-19-10-6-4-8-17(19)22/h3-12H,1-2H3
InChIKeyZFXZVVOEWXGBKD-UHFFFAOYSA-N
XLogP4.87
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4,6-dimethylspiro[2-benzofuran-3,9'-xanthene]-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1'-amino-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139650522
4-(2,5-dimethylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 70408753
4-(2-ethylanilino)-5-methylspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 70408754
3'-tert-butylspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 19829084
1,2-bis(2,4,6-trimethylphenyl)spiro[cyclopropene-3,9'-xanthene]
CID 122222950
(3S)-3-ethyl-3,4,6-trimethyl-2-benzofuran-1-one
CID 92982290
2'-(N-ethyl-2,4-dimethylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 143856827
1',2'-bis(N-(3-methylphenyl)anilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 175711330
7'-(diethylamino)-1'-(2,4-dimethylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139727134
7'-amino-1'-(4-methylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139727176
3',6'-bis[(2,4-dimethylphenyl)methylamino]spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 58252919
7'-amino-1'-(2-ethyl-4-methylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139727183

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethylspiro[2-benzofuran-3,9'-xanthene]-1-one?
The IUPAC name of 4,6-dimethylspiro[2-benzofuran-3,9'-xanthene]-1-one (CID 70425072) is 4,6-dimethylspiro[2-benzofuran-3,9'-xanthene]-1-one.
What is the SMILES notation for 4,6-dimethylspiro[2-benzofuran-3,9'-xanthene]-1-one?
The canonical SMILES for 4,6-dimethylspiro[2-benzofuran-3,9'-xanthene]-1-one is Cc1cc(C)c2c(c1)C(=O)OC21c2ccccc2Oc2ccccc21.
What is the InChIKey of 4,6-dimethylspiro[2-benzofuran-3,9'-xanthene]-1-one?
The InChIKey is ZFXZVVOEWXGBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16O3/c1-13-11-14(2)20-15(12-13)21(23)25-22(20)16-7-3-5-9-18(16)24-19-10-6-4-8-17(19)22/h3-12H,1-2H3.
What are the key properties of 4,6-dimethylspiro[2-benzofuran-3,9'-xanthene]-1-one?
4,6-dimethylspiro[2-benzofuran-3,9'-xanthene]-1-one has a molecular weight of 328.37 g/mol, XLogP of 4.87, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethylspiro[2-benzofuran-3,9'-xanthene]-1-one is sourced from PubChem (CID 70425072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).