2-(2,3-dihydro-1H-inden-1-yl)-2-methyl-3H-inden-1-one

C19H18O — CID 11737107

IUPAC2-(2,3-dihydro-1H-inden-1-yl)-2-methyl-3H-inden-1-one
SMILESCC1(C2CCc3ccccc32)Cc2ccccc2C1=O
InChIInChI=1S/C19H18O/c1-19(12-14-7-3-5-9-16(14)18(19)20)17-11-10-13-6-2-4-8-15(13)17/h2-9,17H,10-12H2,1H3
InChIKeyCRRBHVBLIZJDCV-UHFFFAOYSA-N
MW262.35 g/mol
LogP4.16
Rot. Bonds1

About 2-(2,3-dihydro-1H-inden-1-yl)-2-methyl-3H-inden-1-one

2-(2,3-dihydro-1H-inden-1-yl)-2-methyl-3H-inden-1-one (PubChem CID 11737107) has the molecular formula C19H18O and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-1-yl)-2-methyl-3H-inden-1-one.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-1-yl)-2-methyl-3H-inden-1-one
PubChem CID11737107
Molecular FormulaC19H18O
Molecular Weight262.35 g/mol
Exact Mass262.14
IUPAC Name2-(2,3-dihydro-1H-inden-1-yl)-2-methyl-3H-inden-1-one
SMILESCC1(C2CCc3ccccc32)Cc2ccccc2C1=O
InChIInChI=1S/C19H18O/c1-19(12-14-7-3-5-9-16(14)18(19)20)17-11-10-13-6-2-4-8-15(13)17/h2-9,17H,10-12H2,1H3
InChIKeyCRRBHVBLIZJDCV-UHFFFAOYSA-N
XLogP4.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-(2,3-dihydro-1H-inden-1-yl)-2-methylcyclopropan-1-amine
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(2aS,8aS)-8a-methyl-1,2,2a,8-tetrahydrocyclobuta[b]naphthalen-3-one
CID 10330073
2-[difluoro(iodo)methyl]-2-methyl-3H-inden-1-one
CID 46831315
2-(2,2-dimethylpropyl)-2-methyl-3H-inden-1-one
CID 141404738
1,1-bis[(1R)-2,3-dihydro-1H-inden-1-yl]pyrrolidin-1-ium-2,5-dione
CID 87920205
(3S)-3-[(2R)-2-fluoro-3-oxo-1H-inden-2-yl]-3H-2-benzofuran-1-one
CID 134959551
2-(2-methyl-3-oxo-1H-inden-2-yl)acetonitrile
CID 122218044
(2R)-2-fluoro-2-(2-methylphenyl)-3H-inden-1-one
CID 134956870
2-benzyl-2-(2,3-dihydro-1H-inden-1-yl)-1,3-dihydroinden-1-ol
CID 18368438
(1R,2R)-1-benzylspiro[1,3-dihydroindene-2,2'-3H-indene]-1'-one
CID 11616801

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-1-yl)-2-methyl-3H-inden-1-one?
The IUPAC name of 2-(2,3-dihydro-1H-inden-1-yl)-2-methyl-3H-inden-1-one (CID 11737107) is 2-(2,3-dihydro-1H-inden-1-yl)-2-methyl-3H-inden-1-one.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-1-yl)-2-methyl-3H-inden-1-one?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-1-yl)-2-methyl-3H-inden-1-one is CC1(C2CCc3ccccc32)Cc2ccccc2C1=O.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-1-yl)-2-methyl-3H-inden-1-one?
The InChIKey is CRRBHVBLIZJDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O/c1-19(12-14-7-3-5-9-16(14)18(19)20)17-11-10-13-6-2-4-8-15(13)17/h2-9,17H,10-12H2,1H3.
What are the key properties of 2-(2,3-dihydro-1H-inden-1-yl)-2-methyl-3H-inden-1-one?
2-(2,3-dihydro-1H-inden-1-yl)-2-methyl-3H-inden-1-one has a molecular weight of 262.35 g/mol, XLogP of 4.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-1-yl)-2-methyl-3H-inden-1-one is sourced from PubChem (CID 11737107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).