1-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-naphthalen-1-yloxyethanone

C21H18O4 — CID 71598058

IUPAC1-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-naphthalen-1-yloxyethanone
SMILESCC1(C)Oc2ccc(C(=O)COc3cccc4ccccc34)cc2O1
InChIInChI=1S/C21H18O4/c1-21(2)24-19-11-10-15(12-20(19)25-21)17(22)13-23-18-9-5-7-14-6-3-4-8-16(14)18/h3-12H,13H2,1-2H3
InChIKeyAUBUVQASSWSXTK-UHFFFAOYSA-N
MW334.37 g/mol
LogP4.61
Rot. Bonds4

About 1-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-naphthalen-1-yloxyethanone

1-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-naphthalen-1-yloxyethanone (PubChem CID 71598058) has the molecular formula C21H18O4 and a molecular weight of 334.37 g/mol. Its IUPAC name is 1-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-naphthalen-1-yloxyethanone.

Molecular Properties

Compound Name1-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-naphthalen-1-yloxyethanone
PubChem CID71598058
Molecular FormulaC21H18O4
Molecular Weight334.37 g/mol
Exact Mass334.12
IUPAC Name1-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-naphthalen-1-yloxyethanone
SMILESCC1(C)Oc2ccc(C(=O)COc3cccc4ccccc34)cc2O1
InChIInChI=1S/C21H18O4/c1-21(2)24-19-11-10-15(12-20(19)25-21)17(22)13-23-18-9-5-7-14-6-3-4-8-16(14)18/h3-12H,13H2,1-2H3
InChIKeyAUBUVQASSWSXTK-UHFFFAOYSA-N
XLogP4.61
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)-2-naphthalen-1-yloxyethanone
CID 896643
1-(3-chloro-4-methoxyphenyl)-2-naphthalen-1-yloxyethanone
CID 7627379
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-naphthalen-1-yloxyacetamide
CID 7860183
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxyphenoxy)ethanone
CID 7834366
3-methyl-1-naphthalen-1-yloxybutan-2-one
CID 79395677
2-phenanthren-9-yloxy-1-phenylethanone
CID 155105601
N'-acetyl-2-naphthalen-1-yloxyacetohydrazide
CID 922179
1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-naphthalen-1-yloxyethanone
CID 7850936
2-naphthalen-1-yloxyethyl acetate
CID 23049663
1-[4-(naphthalen-1-yloxymethyl)phenyl]ethanone
CID 134094222
N-tert-butyl-2-naphthalen-1-yloxyacetamide
CID 954544
1-morpholin-4-yl-2-naphthalen-1-yloxyethanone
CID 954548

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-naphthalen-1-yloxyethanone?
The IUPAC name of 1-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-naphthalen-1-yloxyethanone (CID 71598058) is 1-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-naphthalen-1-yloxyethanone.
What is the SMILES notation for 1-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-naphthalen-1-yloxyethanone?
The canonical SMILES for 1-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-naphthalen-1-yloxyethanone is CC1(C)Oc2ccc(C(=O)COc3cccc4ccccc34)cc2O1.
What is the InChIKey of 1-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-naphthalen-1-yloxyethanone?
The InChIKey is AUBUVQASSWSXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O4/c1-21(2)24-19-11-10-15(12-20(19)25-21)17(22)13-23-18-9-5-7-14-6-3-4-8-16(14)18/h3-12H,13H2,1-2H3.
What are the key properties of 1-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-naphthalen-1-yloxyethanone?
1-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-naphthalen-1-yloxyethanone has a molecular weight of 334.37 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-naphthalen-1-yloxyethanone is sourced from PubChem (CID 71598058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).