(2S)-7-benzyl-2-methyl-2,3-dihydroinden-1-one

C17H16O — CID 102109576

IUPAC(2S)-7-benzyl-2-methyl-2,3-dihydroinden-1-one
SMILESC[C@H]1Cc2cccc(Cc3ccccc3)c2C1=O
InChIInChI=1S/C17H16O/c1-12-10-14-8-5-9-15(16(14)17(12)18)11-13-6-3-2-4-7-13/h2-9,12H,10-11H2,1H3/t12-/m0/s1
InChIKeyWGUINFNPUJFMPX-LBPRGKRZSA-N
MW236.31 g/mol
LogP3.65
Rot. Bonds2

About (2S)-7-benzyl-2-methyl-2,3-dihydroinden-1-one

(2S)-7-benzyl-2-methyl-2,3-dihydroinden-1-one (PubChem CID 102109576) has the molecular formula C17H16O and a molecular weight of 236.31 g/mol. Its IUPAC name is (2S)-7-benzyl-2-methyl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name(2S)-7-benzyl-2-methyl-2,3-dihydroinden-1-one
PubChem CID102109576
Molecular FormulaC17H16O
Molecular Weight236.31 g/mol
Exact Mass236.12
IUPAC Name(2S)-7-benzyl-2-methyl-2,3-dihydroinden-1-one
SMILESC[C@H]1Cc2cccc(Cc3ccccc3)c2C1=O
InChIInChI=1S/C17H16O/c1-12-10-14-8-5-9-15(16(14)17(12)18)11-13-6-3-2-4-7-13/h2-9,12H,10-11H2,1H3/t12-/m0/s1
InChIKeyWGUINFNPUJFMPX-LBPRGKRZSA-N
XLogP3.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-7-(4-phenylphenyl)-2,3-dihydroinden-1-one
CID 22173370
2-methyl-7-(2-phenylethynyl)-2,3-dihydroinden-1-one
CID 22172958
2,6-dimethyl-7-phenyl-2,3-dihydroinden-1-one
CID 22173335
(2S)-2-methyl-2,3-dihydroinden-1-one
CID 6994407
7-diethylphosphanyloxy-2-methyl-2,3-dihydroinden-1-one
CID 57060971
1,4,5,8-tetrabenzylanthracene-9,10-dione
CID 175027629
1,4-dibenzylanthracene-9,10-dione;1,5-dibenzylanthracene-9,10-dione
CID 159427852
7-isoquinolin-4-yl-2-methyl-2,3-dihydroinden-1-one
CID 22172886
2-methyl-7-(3-methylthiophen-2-yl)-2,3-dihydroinden-1-one
CID 150420328
1-[(4-methylphenyl)methyl]-10H-anthracen-9-one
CID 158681595
4,9-dimethyl-4,5,9,10-tetrahydropyrene
CID 162152036
2-benzylphenol;ethane
CID 91068983

Frequently Asked Questions

What is the IUPAC name of (2S)-7-benzyl-2-methyl-2,3-dihydroinden-1-one?
The IUPAC name of (2S)-7-benzyl-2-methyl-2,3-dihydroinden-1-one (CID 102109576) is (2S)-7-benzyl-2-methyl-2,3-dihydroinden-1-one.
What is the SMILES notation for (2S)-7-benzyl-2-methyl-2,3-dihydroinden-1-one?
The canonical SMILES for (2S)-7-benzyl-2-methyl-2,3-dihydroinden-1-one is C[C@H]1Cc2cccc(Cc3ccccc3)c2C1=O.
What is the InChIKey of (2S)-7-benzyl-2-methyl-2,3-dihydroinden-1-one?
The InChIKey is WGUINFNPUJFMPX-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H16O/c1-12-10-14-8-5-9-15(16(14)17(12)18)11-13-6-3-2-4-7-13/h2-9,12H,10-11H2,1H3/t12-/m0/s1.
What are the key properties of (2S)-7-benzyl-2-methyl-2,3-dihydroinden-1-one?
(2S)-7-benzyl-2-methyl-2,3-dihydroinden-1-one has a molecular weight of 236.31 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-7-benzyl-2-methyl-2,3-dihydroinden-1-one is sourced from PubChem (CID 102109576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).