3'-methoxy-3'-methylspiro[1,3-dihydroindene-2,2'-indene]-1'-one

C19H18O2 — CID 142663538

IUPAC3'-methoxy-3'-methylspiro[1,3-dihydroindene-2,2'-indene]-1'-one
SMILESCOC1(C)c2ccccc2C(=O)C12Cc1ccccc1C2
InChIInChI=1S/C19H18O2/c1-18(21-2)16-10-6-5-9-15(16)17(20)19(18)11-13-7-3-4-8-14(13)12-19/h3-10H,11-12H2,1-2H3
InChIKeyGJSJHAQMWSUERK-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.53
Rot. Bonds1

About 3'-methoxy-3'-methylspiro[1,3-dihydroindene-2,2'-indene]-1'-one

3'-methoxy-3'-methylspiro[1,3-dihydroindene-2,2'-indene]-1'-one (PubChem CID 142663538) has the molecular formula C19H18O2 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3'-methoxy-3'-methylspiro[1,3-dihydroindene-2,2'-indene]-1'-one.

Molecular Properties

Compound Name3'-methoxy-3'-methylspiro[1,3-dihydroindene-2,2'-indene]-1'-one
PubChem CID142663538
Molecular FormulaC19H18O2
Molecular Weight278.35 g/mol
Exact Mass278.13
IUPAC Name3'-methoxy-3'-methylspiro[1,3-dihydroindene-2,2'-indene]-1'-one
SMILESCOC1(C)c2ccccc2C(=O)C12Cc1ccccc1C2
InChIInChI=1S/C19H18O2/c1-18(21-2)16-10-6-5-9-15(16)17(20)19(18)11-13-7-3-4-8-14(13)12-19/h3-10H,11-12H2,1-2H3
InChIKeyGJSJHAQMWSUERK-UHFFFAOYSA-N
XLogP3.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

13-methoxyhexacyclo[7.7.7.01,9.02,7.011,16.017,22]tricosa-2,4,6,11(16),12,14,17,19,21-nonaen-8-one
CID 14874013
3'-ethylidene-1'-methylspiro[1,3-dihydroindene-2,2'-indene]-1'-ol
CID 142663531
3-methoxy-3-methyl-2-benzofuran-1-one
CID 15483639
methyl 2-methoxy-3-oxo-1H-indene-2-carboxylate
CID 102173835
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CID 91285741
2-methyl-2-nitroso-3H-inden-1-one
CID 86209895
3-fluoro-3-methyl-2H-inden-1-one
CID 122380797
(2R)-2-fluoro-2-(2-methylphenyl)-3H-inden-1-one
CID 134956870
methyl (3S)-3-methyl-1-oxo-4H-isochromene-3-carboxylate
CID 907846
spiro[1,3-dihydroindene-2,4'-isoquinoline]-1',3'-dione
CID 44725575
CID 12592524
CID 12592524
2-[difluoro(iodo)methyl]-2-methyl-3H-inden-1-one
CID 46831315

Frequently Asked Questions

What is the IUPAC name of 3'-methoxy-3'-methylspiro[1,3-dihydroindene-2,2'-indene]-1'-one?
The IUPAC name of 3'-methoxy-3'-methylspiro[1,3-dihydroindene-2,2'-indene]-1'-one (CID 142663538) is 3'-methoxy-3'-methylspiro[1,3-dihydroindene-2,2'-indene]-1'-one.
What is the SMILES notation for 3'-methoxy-3'-methylspiro[1,3-dihydroindene-2,2'-indene]-1'-one?
The canonical SMILES for 3'-methoxy-3'-methylspiro[1,3-dihydroindene-2,2'-indene]-1'-one is COC1(C)c2ccccc2C(=O)C12Cc1ccccc1C2.
What is the InChIKey of 3'-methoxy-3'-methylspiro[1,3-dihydroindene-2,2'-indene]-1'-one?
The InChIKey is GJSJHAQMWSUERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O2/c1-18(21-2)16-10-6-5-9-15(16)17(20)19(18)11-13-7-3-4-8-14(13)12-19/h3-10H,11-12H2,1-2H3.
What are the key properties of 3'-methoxy-3'-methylspiro[1,3-dihydroindene-2,2'-indene]-1'-one?
3'-methoxy-3'-methylspiro[1,3-dihydroindene-2,2'-indene]-1'-one has a molecular weight of 278.35 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-methoxy-3'-methylspiro[1,3-dihydroindene-2,2'-indene]-1'-one is sourced from PubChem (CID 142663538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).