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

C18H18O — CID 11357149

IUPAC5-(3,4-dimethylphenyl)-2-methyl-2,3-dihydroinden-1-one
SMILESCc1ccc(-c2ccc3c(c2)CC(C)C3=O)cc1C
InChIInChI=1S/C18H18O/c1-11-4-5-14(8-12(11)2)15-6-7-17-16(10-15)9-13(3)18(17)19/h4-8,10,13H,9H2,1-3H3
InChIKeyOTZVMVMJDRZURP-UHFFFAOYSA-N
MW250.34 g/mol
LogP4.35
Rot. Bonds1

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

5-(3,4-dimethylphenyl)-2-methyl-2,3-dihydroinden-1-one (PubChem CID 11357149) has the molecular formula C18H18O and a molecular weight of 250.34 g/mol. Its IUPAC name is 5-(3,4-dimethylphenyl)-2-methyl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5-(3,4-dimethylphenyl)-2-methyl-2,3-dihydroinden-1-one
PubChem CID11357149
Molecular FormulaC18H18O
Molecular Weight250.34 g/mol
Exact Mass250.14
IUPAC Name5-(3,4-dimethylphenyl)-2-methyl-2,3-dihydroinden-1-one
SMILESCc1ccc(-c2ccc3c(c2)CC(C)C3=O)cc1C
InChIInChI=1S/C18H18O/c1-11-4-5-14(8-12(11)2)15-6-7-17-16(10-15)9-13(3)18(17)19/h4-8,10,13H,9H2,1-3H3
InChIKeyOTZVMVMJDRZURP-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 5-(3,4-dimethylphenyl)-2-methyl-2,3-dihydroinden-1-one?
The IUPAC name of 5-(3,4-dimethylphenyl)-2-methyl-2,3-dihydroinden-1-one (CID 11357149) is 5-(3,4-dimethylphenyl)-2-methyl-2,3-dihydroinden-1-one.
What is the SMILES notation for 5-(3,4-dimethylphenyl)-2-methyl-2,3-dihydroinden-1-one?
The canonical SMILES for 5-(3,4-dimethylphenyl)-2-methyl-2,3-dihydroinden-1-one is Cc1ccc(-c2ccc3c(c2)CC(C)C3=O)cc1C.
What is the InChIKey of 5-(3,4-dimethylphenyl)-2-methyl-2,3-dihydroinden-1-one?
The InChIKey is OTZVMVMJDRZURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O/c1-11-4-5-14(8-12(11)2)15-6-7-17-16(10-15)9-13(3)18(17)19/h4-8,10,13H,9H2,1-3H3.
What are the key properties of 5-(3,4-dimethylphenyl)-2-methyl-2,3-dihydroinden-1-one?
5-(3,4-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 5-(3,4-dimethylphenyl)-2-methyl-2,3-dihydroinden-1-one is sourced from PubChem (CID 11357149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).