3-methyl-5-phenyl-2,3-dihydroinden-1-one

C16H14O — CID 11637152

IUPAC3-methyl-5-phenyl-2,3-dihydroinden-1-one
SMILESCC1CC(=O)c2ccc(-c3ccccc3)cc21
InChIInChI=1S/C16H14O/c1-11-9-16(17)14-8-7-13(10-15(11)14)12-5-3-2-4-6-12/h2-8,10-11H,9H2,1H3
InChIKeyGJLPABBVXMYOFT-UHFFFAOYSA-N
MW222.29 g/mol
LogP4.04
Rot. Bonds1

About 3-methyl-5-phenyl-2,3-dihydroinden-1-one

3-methyl-5-phenyl-2,3-dihydroinden-1-one (PubChem CID 11637152) has the molecular formula C16H14O and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-methyl-5-phenyl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name3-methyl-5-phenyl-2,3-dihydroinden-1-one
PubChem CID11637152
Molecular FormulaC16H14O
Molecular Weight222.29 g/mol
Exact Mass222.10
IUPAC Name3-methyl-5-phenyl-2,3-dihydroinden-1-one
SMILESCC1CC(=O)c2ccc(-c3ccccc3)cc21
InChIInChI=1S/C16H14O/c1-11-9-16(17)14-8-7-13(10-15(11)14)12-5-3-2-4-6-12/h2-8,10-11H,9H2,1H3
InChIKeyGJLPABBVXMYOFT-UHFFFAOYSA-N
XLogP4.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-phenyl-2,3-dihydroinden-1-one?
The IUPAC name of 3-methyl-5-phenyl-2,3-dihydroinden-1-one (CID 11637152) is 3-methyl-5-phenyl-2,3-dihydroinden-1-one.
What is the SMILES notation for 3-methyl-5-phenyl-2,3-dihydroinden-1-one?
The canonical SMILES for 3-methyl-5-phenyl-2,3-dihydroinden-1-one is CC1CC(=O)c2ccc(-c3ccccc3)cc21.
What is the InChIKey of 3-methyl-5-phenyl-2,3-dihydroinden-1-one?
The InChIKey is GJLPABBVXMYOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O/c1-11-9-16(17)14-8-7-13(10-15(11)14)12-5-3-2-4-6-12/h2-8,10-11H,9H2,1H3.
What are the key properties of 3-methyl-5-phenyl-2,3-dihydroinden-1-one?
3-methyl-5-phenyl-2,3-dihydroinden-1-one has a molecular weight of 222.29 g/mol, XLogP of 4.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-phenyl-2,3-dihydroinden-1-one is sourced from PubChem (CID 11637152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).