2,2-dimethyl-5-(phenylmethoxymethyl)benzo[g][1,3]benzodioxin-4-one

C22H20O4 — CID 134847146

IUPAC2,2-dimethyl-5-(phenylmethoxymethyl)benzo[g][1,3]benzodioxin-4-one
SMILESCC1(C)OC(=O)c2c(cc3ccccc3c2COCc2ccccc2)O1
InChIInChI=1S/C22H20O4/c1-22(2)25-19-12-16-10-6-7-11-17(16)18(20(19)21(23)26-22)14-24-13-15-8-4-3-5-9-15/h3-12H,13-14H2,1-2H3
InChIKeyIRETVCLUZIGIAV-UHFFFAOYSA-N
MW348.40 g/mol
LogP4.84
Rot. Bonds4

About 2,2-dimethyl-5-(phenylmethoxymethyl)benzo[g][1,3]benzodioxin-4-one

2,2-dimethyl-5-(phenylmethoxymethyl)benzo[g][1,3]benzodioxin-4-one (PubChem CID 134847146) has the molecular formula C22H20O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is 2,2-dimethyl-5-(phenylmethoxymethyl)benzo[g][1,3]benzodioxin-4-one.

Molecular Properties

Compound Name2,2-dimethyl-5-(phenylmethoxymethyl)benzo[g][1,3]benzodioxin-4-one
PubChem CID134847146
Molecular FormulaC22H20O4
Molecular Weight348.40 g/mol
Exact Mass348.14
IUPAC Name2,2-dimethyl-5-(phenylmethoxymethyl)benzo[g][1,3]benzodioxin-4-one
SMILESCC1(C)OC(=O)c2c(cc3ccccc3c2COCc2ccccc2)O1
InChIInChI=1S/C22H20O4/c1-22(2)25-19-12-16-10-6-7-11-17(16)18(20(19)21(23)26-22)14-24-13-15-8-4-3-5-9-15/h3-12H,13-14H2,1-2H3
InChIKeyIRETVCLUZIGIAV-UHFFFAOYSA-N
XLogP4.84
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,5-trimethyl-6-phenylmethoxybenzo[g][1,3]benzodioxin-4-one
CID 134846451
3,3-dimethylbenzo[f][1,3]benzodioxin-1-one
CID 142590580
2,2-dimethyl-6-(2-methylpropyl)-5-phenylmethoxy-1,3-benzodioxin-4-one
CID 59127502
5-[[3,5-bis(phenylmethoxy)phenyl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168599819
2,2-dimethyl-7-phenylmethoxy-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-benzodioxin-4-one
CID 163207670
4-(iodomethyl)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxole
CID 141198603
2-(3,5-difluorophenyl)-5-[(4-ethenylphenyl)methoxy]-2-methylbenzo[g][1,3]benzodioxin-4-one
CID 171601600
3-methyl-4-(phenylmethoxymethyl)chromen-2-one
CID 11346519
ethane;phenylmethoxymethylbenzene
CID 90943549
5-[(3,4-dimethoxy-5-phenylmethoxyphenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168598853
2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxole
CID 141089313
CID 66734377
CID 66734377

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(phenylmethoxymethyl)benzo[g][1,3]benzodioxin-4-one?
The IUPAC name of 2,2-dimethyl-5-(phenylmethoxymethyl)benzo[g][1,3]benzodioxin-4-one (CID 134847146) is 2,2-dimethyl-5-(phenylmethoxymethyl)benzo[g][1,3]benzodioxin-4-one.
What is the SMILES notation for 2,2-dimethyl-5-(phenylmethoxymethyl)benzo[g][1,3]benzodioxin-4-one?
The canonical SMILES for 2,2-dimethyl-5-(phenylmethoxymethyl)benzo[g][1,3]benzodioxin-4-one is CC1(C)OC(=O)c2c(cc3ccccc3c2COCc2ccccc2)O1.
What is the InChIKey of 2,2-dimethyl-5-(phenylmethoxymethyl)benzo[g][1,3]benzodioxin-4-one?
The InChIKey is IRETVCLUZIGIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O4/c1-22(2)25-19-12-16-10-6-7-11-17(16)18(20(19)21(23)26-22)14-24-13-15-8-4-3-5-9-15/h3-12H,13-14H2,1-2H3.
What are the key properties of 2,2-dimethyl-5-(phenylmethoxymethyl)benzo[g][1,3]benzodioxin-4-one?
2,2-dimethyl-5-(phenylmethoxymethyl)benzo[g][1,3]benzodioxin-4-one has a molecular weight of 348.40 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(phenylmethoxymethyl)benzo[g][1,3]benzodioxin-4-one is sourced from PubChem (CID 134847146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).