2-methyl-7-(4-phenylphenyl)-2,3-dihydroinden-1-one

C22H18O — CID 22173370

IUPAC2-methyl-7-(4-phenylphenyl)-2,3-dihydroinden-1-one
SMILESCC1Cc2cccc(-c3ccc(-c4ccccc4)cc3)c2C1=O
InChIInChI=1S/C22H18O/c1-15-14-19-8-5-9-20(21(19)22(15)23)18-12-10-17(11-13-18)16-6-3-2-4-7-16/h2-13,15H,14H2,1H3
InChIKeyQVIQYEGDBPKLMH-UHFFFAOYSA-N
MW298.38 g/mol
LogP5.40
Rot. Bonds2

About 2-methyl-7-(4-phenylphenyl)-2,3-dihydroinden-1-one

2-methyl-7-(4-phenylphenyl)-2,3-dihydroinden-1-one (PubChem CID 22173370) has the molecular formula C22H18O and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-methyl-7-(4-phenylphenyl)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name2-methyl-7-(4-phenylphenyl)-2,3-dihydroinden-1-one
PubChem CID22173370
Molecular FormulaC22H18O
Molecular Weight298.38 g/mol
Exact Mass298.14
IUPAC Name2-methyl-7-(4-phenylphenyl)-2,3-dihydroinden-1-one
SMILESCC1Cc2cccc(-c3ccc(-c4ccccc4)cc3)c2C1=O
InChIInChI=1S/C22H18O/c1-15-14-19-8-5-9-20(21(19)22(15)23)18-12-10-17(11-13-18)16-6-3-2-4-7-16/h2-13,15H,14H2,1H3
InChIKeyQVIQYEGDBPKLMH-UHFFFAOYSA-N
XLogP5.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.38
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

methyl 3-(2-methyl-3-oxo-1,2-dihydroinden-4-yl)benzoate
CID 22173314
(2S)-2-methyl-2,3-dihydroinden-1-one
CID 6994407
7-(4-chlorophenyl)-2-methyl-2,3-dihydroinden-1-one;7-(3,5-dichlorophenyl)-2-methyl-2,3-dihydroinden-1-one;2-methyl-7-[3-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one;2-methyl-7-[4-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-one
CID 158263726
2,6-dimethyl-7-phenyl-2,3-dihydroinden-1-one
CID 22173335
7-isoquinolin-4-yl-2-methyl-2,3-dihydroinden-1-one
CID 22172886
2-methyl-7-(2-phenylethynyl)-2,3-dihydroinden-1-one
CID 22172958
(2S)-7-benzyl-2-methyl-2,3-dihydroinden-1-one
CID 102109576
2-methyl-7-(3-methylthiophen-2-yl)-2,3-dihydroinden-1-one
CID 150420328
2-methyl-7-(1-methyltriazol-4-yl)-2,3-dihydroinden-1-one
CID 22173532
7-phenyl-2,3-dihydroinden-1-one
CID 13146457
2,5-dimethyl-7-(4-methylphenyl)-2,3-dihydroinden-1-one;2,5-dimethyl-7-phenyl-2,3-dihydroinden-1-one;2,5-dimethyl-7-thiophen-2-yl-2,3-dihydroinden-1-one;2-methyl-5,7-diphenyl-2,3-dihydroinden-1-one;2-methyl-7-naphthalen-1-yl-5-phenyl-2,3-dihydroinden-1-one
CID 158274771
4-(4-chlorophenyl)-2-methyl-2,3-dihydroinden-1-one
CID 22172950

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-(4-phenylphenyl)-2,3-dihydroinden-1-one?
The IUPAC name of 2-methyl-7-(4-phenylphenyl)-2,3-dihydroinden-1-one (CID 22173370) is 2-methyl-7-(4-phenylphenyl)-2,3-dihydroinden-1-one.
What is the SMILES notation for 2-methyl-7-(4-phenylphenyl)-2,3-dihydroinden-1-one?
The canonical SMILES for 2-methyl-7-(4-phenylphenyl)-2,3-dihydroinden-1-one is CC1Cc2cccc(-c3ccc(-c4ccccc4)cc3)c2C1=O.
What is the InChIKey of 2-methyl-7-(4-phenylphenyl)-2,3-dihydroinden-1-one?
The InChIKey is QVIQYEGDBPKLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O/c1-15-14-19-8-5-9-20(21(19)22(15)23)18-12-10-17(11-13-18)16-6-3-2-4-7-16/h2-13,15H,14H2,1H3.
What are the key properties of 2-methyl-7-(4-phenylphenyl)-2,3-dihydroinden-1-one?
2-methyl-7-(4-phenylphenyl)-2,3-dihydroinden-1-one has a molecular weight of 298.38 g/mol, XLogP of 5.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-(4-phenylphenyl)-2,3-dihydroinden-1-one is sourced from PubChem (CID 22173370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).