4-(3,5-dimethylphenyl)-2-methyl-2,3-dihydroinden-1-one

C18H18O — CID 22173236

IUPAC4-(3,5-dimethylphenyl)-2-methyl-2,3-dihydroinden-1-one
SMILESCc1cc(C)cc(-c2cccc3c2CC(C)C3=O)c1
InChIInChI=1S/C18H18O/c1-11-7-12(2)9-14(8-11)15-5-4-6-16-17(15)10-13(3)18(16)19/h4-9,13H,10H2,1-3H3
InChIKeyVRAIKXJERCYSCG-UHFFFAOYSA-N
MW250.34 g/mol
LogP4.35
Rot. Bonds1

About 4-(3,5-dimethylphenyl)-2-methyl-2,3-dihydroinden-1-one

4-(3,5-dimethylphenyl)-2-methyl-2,3-dihydroinden-1-one (PubChem CID 22173236) has the molecular formula C18H18O and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-(3,5-dimethylphenyl)-2-methyl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name4-(3,5-dimethylphenyl)-2-methyl-2,3-dihydroinden-1-one
PubChem CID22173236
Molecular FormulaC18H18O
Molecular Weight250.34 g/mol
Exact Mass250.14
IUPAC Name4-(3,5-dimethylphenyl)-2-methyl-2,3-dihydroinden-1-one
SMILESCc1cc(C)cc(-c2cccc3c2CC(C)C3=O)c1
InChIInChI=1S/C18H18O/c1-11-7-12(2)9-14(8-11)15-5-4-6-16-17(15)10-13(3)18(16)19/h4-9,13H,10H2,1-3H3
InChIKeyVRAIKXJERCYSCG-UHFFFAOYSA-N
XLogP4.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylphenyl)-2-methyl-2,3-dihydroinden-1-one?
The IUPAC name of 4-(3,5-dimethylphenyl)-2-methyl-2,3-dihydroinden-1-one (CID 22173236) is 4-(3,5-dimethylphenyl)-2-methyl-2,3-dihydroinden-1-one.
What is the SMILES notation for 4-(3,5-dimethylphenyl)-2-methyl-2,3-dihydroinden-1-one?
The canonical SMILES for 4-(3,5-dimethylphenyl)-2-methyl-2,3-dihydroinden-1-one is Cc1cc(C)cc(-c2cccc3c2CC(C)C3=O)c1.
What is the InChIKey of 4-(3,5-dimethylphenyl)-2-methyl-2,3-dihydroinden-1-one?
The InChIKey is VRAIKXJERCYSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O/c1-11-7-12(2)9-14(8-11)15-5-4-6-16-17(15)10-13(3)18(16)19/h4-9,13H,10H2,1-3H3.
What are the key properties of 4-(3,5-dimethylphenyl)-2-methyl-2,3-dihydroinden-1-one?
4-(3,5-dimethylphenyl)-2-methyl-2,3-dihydroinden-1-one has a molecular weight of 250.34 g/mol, XLogP of 4.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylphenyl)-2-methyl-2,3-dihydroinden-1-one is sourced from PubChem (CID 22173236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).