(2S,2'S)-2'-(2,4,6-trimethylphenyl)spiro[3H-indene-2,1'-cyclopropane]-1-one

C20H20O — CID 15473558

IUPAC(2S,2'S)-2'-(2,4,6-trimethylphenyl)spiro[3H-indene-2,1'-cyclopropane]-1-one
SMILESCc1cc(C)c([C@@H]2C[C@]23Cc2ccccc2C3=O)c(C)c1
InChIInChI=1S/C20H20O/c1-12-8-13(2)18(14(3)9-12)17-11-20(17)10-15-6-4-5-7-16(15)19(20)21/h4-9,17H,10-11H2,1-3H3/t17-,20+/m0/s1
InChIKeyDKYQSHACLNTSQD-FXAWDEMLSA-N
MW276.38 g/mol
LogP4.52
Rot. Bonds1

About (2S,2'S)-2'-(2,4,6-trimethylphenyl)spiro[3H-indene-2,1'-cyclopropane]-1-one

(2S,2'S)-2'-(2,4,6-trimethylphenyl)spiro[3H-indene-2,1'-cyclopropane]-1-one (PubChem CID 15473558) has the molecular formula C20H20O and a molecular weight of 276.38 g/mol. Its IUPAC name is (2S,2'S)-2'-(2,4,6-trimethylphenyl)spiro[3H-indene-2,1'-cyclopropane]-1-one.

Molecular Properties

Compound Name(2S,2'S)-2'-(2,4,6-trimethylphenyl)spiro[3H-indene-2,1'-cyclopropane]-1-one
PubChem CID15473558
Molecular FormulaC20H20O
Molecular Weight276.38 g/mol
Exact Mass276.15
IUPAC Name(2S,2'S)-2'-(2,4,6-trimethylphenyl)spiro[3H-indene-2,1'-cyclopropane]-1-one
SMILESCc1cc(C)c([C@@H]2C[C@]23Cc2ccccc2C3=O)c(C)c1
InChIInChI=1S/C20H20O/c1-12-8-13(2)18(14(3)9-12)17-11-20(17)10-15-6-4-5-7-16(15)19(20)21/h4-9,17H,10-11H2,1-3H3/t17-,20+/m0/s1
InChIKeyDKYQSHACLNTSQD-FXAWDEMLSA-N
XLogP4.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2S,2'S)-2'-(2,4,6-trimethylphenyl)spiro[3H-indene-2,1'-cyclopropane]-1-one with MolForge

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Related Compounds

(2S,2'S)-2'-(3-methoxyphenyl)spiro[3H-indene-2,1'-cyclopropane]-1-one
CID 15473548
(2S,2'R)-2'-(4-fluorophenyl)spiro[3H-indene-2,1'-cyclopropane]-1-one
CID 15473555
(2S,2'S)-2'-(3-fluorophenyl)spiro[3H-indene-2,1'-cyclopropane]-1-one
CID 15473560
(2S,2'S)-2'-(3,4,5-trimethoxyphenyl)spiro[3H-indene-2,1'-cyclopropane]-1-one
CID 15473546
(2S,3'S)-1'-methyl-3-oxospiro[1H-indene-2,4'-pyrrolidine]-3'-carboxylic acid
CID 124813760
(1R,2R)-1-benzylspiro[1,3-dihydroindene-2,2'-3H-indene]-1'-one
CID 11616801
(2R)-2-fluoro-2-(2-methylphenyl)-3H-inden-1-one
CID 134956870
(2S,3S)-2,5-dimethylspiro[1,2-dihydroindole-3,2'-3H-indene]-1'-one
CID 172635593
(2S)-2-methyl-2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3H-inden-1-one
CID 138984515
(2R,3'R)-3'-phenylspiro[3H-indene-2,2'-oxirane]-1-one
CID 736601
2-methyl-2-nitroso-3H-inden-1-one
CID 86209895
2,10,10-trimethyl-9H-phenanthrene
CID 175802483

Frequently Asked Questions

What is the IUPAC name of (2S,2'S)-2'-(2,4,6-trimethylphenyl)spiro[3H-indene-2,1'-cyclopropane]-1-one?
The IUPAC name of (2S,2'S)-2'-(2,4,6-trimethylphenyl)spiro[3H-indene-2,1'-cyclopropane]-1-one (CID 15473558) is (2S,2'S)-2'-(2,4,6-trimethylphenyl)spiro[3H-indene-2,1'-cyclopropane]-1-one.
What is the SMILES notation for (2S,2'S)-2'-(2,4,6-trimethylphenyl)spiro[3H-indene-2,1'-cyclopropane]-1-one?
The canonical SMILES for (2S,2'S)-2'-(2,4,6-trimethylphenyl)spiro[3H-indene-2,1'-cyclopropane]-1-one is Cc1cc(C)c([C@@H]2C[C@]23Cc2ccccc2C3=O)c(C)c1.
What is the InChIKey of (2S,2'S)-2'-(2,4,6-trimethylphenyl)spiro[3H-indene-2,1'-cyclopropane]-1-one?
The InChIKey is DKYQSHACLNTSQD-FXAWDEMLSA-N. The full InChI is InChI=1S/C20H20O/c1-12-8-13(2)18(14(3)9-12)17-11-20(17)10-15-6-4-5-7-16(15)19(20)21/h4-9,17H,10-11H2,1-3H3/t17-,20+/m0/s1.
What are the key properties of (2S,2'S)-2'-(2,4,6-trimethylphenyl)spiro[3H-indene-2,1'-cyclopropane]-1-one?
(2S,2'S)-2'-(2,4,6-trimethylphenyl)spiro[3H-indene-2,1'-cyclopropane]-1-one has a molecular weight of 276.38 g/mol, XLogP of 4.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,2'S)-2'-(2,4,6-trimethylphenyl)spiro[3H-indene-2,1'-cyclopropane]-1-one is sourced from PubChem (CID 15473558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).