4-(1,3-benzodioxol-5-ylmethoxy)-2,3-dihydroinden-1-one

C17H14O4 — CID 24582197

IUPAC4-(1,3-benzodioxol-5-ylmethoxy)-2,3-dihydroinden-1-one
SMILESO=C1CCc2c(OCc3ccc4c(c3)OCO4)cccc21
InChIInChI=1S/C17H14O4/c18-14-6-5-13-12(14)2-1-3-15(13)19-9-11-4-7-16-17(8-11)21-10-20-16/h1-4,7-8H,5-6,9-10H2
InChIKeyDGPONZRZIMVIKI-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.12
Rot. Bonds3

About 4-(1,3-benzodioxol-5-ylmethoxy)-2,3-dihydroinden-1-one

4-(1,3-benzodioxol-5-ylmethoxy)-2,3-dihydroinden-1-one (PubChem CID 24582197) has the molecular formula C17H14O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 4-(1,3-benzodioxol-5-ylmethoxy)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name4-(1,3-benzodioxol-5-ylmethoxy)-2,3-dihydroinden-1-one
PubChem CID24582197
Molecular FormulaC17H14O4
Molecular Weight282.30 g/mol
Exact Mass282.09
IUPAC Name4-(1,3-benzodioxol-5-ylmethoxy)-2,3-dihydroinden-1-one
SMILESO=C1CCc2c(OCc3ccc4c(c3)OCO4)cccc21
InChIInChI=1S/C17H14O4/c18-14-6-5-13-12(14)2-1-3-15(13)19-9-11-4-7-16-17(8-11)21-10-20-16/h1-4,7-8H,5-6,9-10H2
InChIKeyDGPONZRZIMVIKI-UHFFFAOYSA-N
XLogP3.12
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-methylphenyl)methoxy]-2,3-dihydroinden-1-one
CID 55025444
4-[(4-ethylphenyl)methoxy]-2,3-dihydroinden-1-one
CID 63090320
2-(1,3-benzodioxol-5-ylmethoxy)aniline
CID 11791381
2-[3-[(1-oxo-2,3-dihydroinden-4-yl)oxymethyl]phenoxy]acetamide
CID 75526427
1-[2-(1,3-benzodioxol-5-ylmethoxy)phenyl]ethanamine
CID 43189048
4-[(2,4-dichlorophenyl)methoxy]-2,3-dihydroinden-1-one
CID 60705420
2-(1,3-benzodioxol-5-ylmethoxy)benzenecarbothioamide
CID 28602236
4-[(2-fluoro-3-methoxyphenyl)methoxy]-2,3-dihydroinden-1-one
CID 104792196
4-fluoro-2-[(1-oxo-2,3-dihydroinden-4-yl)oxymethyl]benzonitrile
CID 103759988
4-(2-methoxyethoxy)-2,3-dihydroinden-1-one
CID 60705268
4-(1,3-benzodioxol-5-ylmethoxy)-3-methyl-1-benzofuran-2-carboxylic acid
CID 11723886
3-(1,3-benzodioxol-5-ylmethoxy)benzenethiol
CID 146183968

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzodioxol-5-ylmethoxy)-2,3-dihydroinden-1-one?
The IUPAC name of 4-(1,3-benzodioxol-5-ylmethoxy)-2,3-dihydroinden-1-one (CID 24582197) is 4-(1,3-benzodioxol-5-ylmethoxy)-2,3-dihydroinden-1-one.
What is the SMILES notation for 4-(1,3-benzodioxol-5-ylmethoxy)-2,3-dihydroinden-1-one?
The canonical SMILES for 4-(1,3-benzodioxol-5-ylmethoxy)-2,3-dihydroinden-1-one is O=C1CCc2c(OCc3ccc4c(c3)OCO4)cccc21.
What is the InChIKey of 4-(1,3-benzodioxol-5-ylmethoxy)-2,3-dihydroinden-1-one?
The InChIKey is DGPONZRZIMVIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O4/c18-14-6-5-13-12(14)2-1-3-15(13)19-9-11-4-7-16-17(8-11)21-10-20-16/h1-4,7-8H,5-6,9-10H2.
What are the key properties of 4-(1,3-benzodioxol-5-ylmethoxy)-2,3-dihydroinden-1-one?
4-(1,3-benzodioxol-5-ylmethoxy)-2,3-dihydroinden-1-one has a molecular weight of 282.30 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzodioxol-5-ylmethoxy)-2,3-dihydroinden-1-one is sourced from PubChem (CID 24582197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).