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

C18H16O — CID 135045307

IUPAC6'-methylspiro[1,2-dihydroindene-3,3'-2H-indene]-1'-one
SMILESCc1ccc2c(c1)C(=O)CC21CCc2ccccc21
InChIInChI=1S/C18H16O/c1-12-6-7-16-14(10-12)17(19)11-18(16)9-8-13-4-2-3-5-15(13)18/h2-7,10H,8-9,11H2,1H3
InChIKeyWXIHVNFWYVGKNS-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.81
Rot. Bonds

About 6'-methylspiro[1,2-dihydroindene-3,3'-2H-indene]-1'-one

6'-methylspiro[1,2-dihydroindene-3,3'-2H-indene]-1'-one (PubChem CID 135045307) has the molecular formula C18H16O and a molecular weight of 248.33 g/mol. Its IUPAC name is 6'-methylspiro[1,2-dihydroindene-3,3'-2H-indene]-1'-one.

Molecular Properties

Compound Name6'-methylspiro[1,2-dihydroindene-3,3'-2H-indene]-1'-one
PubChem CID135045307
Molecular FormulaC18H16O
Molecular Weight248.33 g/mol
Exact Mass248.12
IUPAC Name6'-methylspiro[1,2-dihydroindene-3,3'-2H-indene]-1'-one
SMILESCc1ccc2c(c1)C(=O)CC21CCc2ccccc21
InChIInChI=1S/C18H16O/c1-12-6-7-16-14(10-12)17(19)11-18(16)9-8-13-4-2-3-5-15(13)18/h2-7,10H,8-9,11H2,1H3
InChIKeyWXIHVNFWYVGKNS-UHFFFAOYSA-N
XLogP3.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6'-propan-2-ylspiro[1,2-dihydroindene-3,3'-2H-indene]-1'-one
CID 135036043
3,3,6-trimethyl-2H-inden-1-one
CID 594538
(4S)-4-hydroxy-4,7-dimethyl-2,3-dihydronaphthalen-1-one
CID 102352796
7'-methylspiro[cyclobutane-1,4'-isoquinoline]-1',3'-dione
CID 104696989
2',7'-dimethylspiro[cyclooctane-1,9'-fluorene];2',7'-dimethylspiro[2H-indene-3,9'-fluorene]-1-one;2'-methylspiro[2H-indene-3,9'-fluorene]-1-one
CID 159075202
(3S)-spiro[1,2-dihydroindene-3,3'-oxolane]-2',5'-dione
CID 129374458
8-methyl-5,11-dihydrobenzo[c][1]benzazepin-6-one
CID 102431030
spiro[1,2-dihydroindene-3,7'-5,6-dihydrocyclopenta[b]pyridine]
CID 59325833
7-methylspiro[3,4-dihydronaphthalene-1,1'-cyclopropane]-2-one
CID 115010920
2-(1,5-dimethyl-3-oxo-2H-inden-1-yl)acetic acid
CID 82158605
7-methylspiro[2,4-dihydronaphthalene-3,4'-piperidine]-1-one
CID 170134760
6-methylspiro[3,4-dihydronaphthalene-1,1'-cyclobutane]-2-one
CID 115010954

Frequently Asked Questions

What is the IUPAC name of 6'-methylspiro[1,2-dihydroindene-3,3'-2H-indene]-1'-one?
The IUPAC name of 6'-methylspiro[1,2-dihydroindene-3,3'-2H-indene]-1'-one (CID 135045307) is 6'-methylspiro[1,2-dihydroindene-3,3'-2H-indene]-1'-one.
What is the SMILES notation for 6'-methylspiro[1,2-dihydroindene-3,3'-2H-indene]-1'-one?
The canonical SMILES for 6'-methylspiro[1,2-dihydroindene-3,3'-2H-indene]-1'-one is Cc1ccc2c(c1)C(=O)CC21CCc2ccccc21.
What is the InChIKey of 6'-methylspiro[1,2-dihydroindene-3,3'-2H-indene]-1'-one?
The InChIKey is WXIHVNFWYVGKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O/c1-12-6-7-16-14(10-12)17(19)11-18(16)9-8-13-4-2-3-5-15(13)18/h2-7,10H,8-9,11H2,1H3.
What are the key properties of 6'-methylspiro[1,2-dihydroindene-3,3'-2H-indene]-1'-one?
6'-methylspiro[1,2-dihydroindene-3,3'-2H-indene]-1'-one has a molecular weight of 248.33 g/mol, XLogP of 3.81, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-methylspiro[1,2-dihydroindene-3,3'-2H-indene]-1'-one is sourced from PubChem (CID 135045307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).