3-methyl-3-phenyl-1H-inden-2-one

C16H14O — CID 66651875

IUPAC3-methyl-3-phenyl-1H-inden-2-one
SMILESCC1(c2ccccc2)C(=O)Cc2ccccc21
InChIInChI=1S/C16H14O/c1-16(13-8-3-2-4-9-13)14-10-6-5-7-12(14)11-15(16)17/h2-10H,11H2,1H3
InChIKeyAPMHABHDXUJVJI-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.12
Rot. Bonds1

About 3-methyl-3-phenyl-1H-inden-2-one

3-methyl-3-phenyl-1H-inden-2-one (PubChem CID 66651875) has the molecular formula C16H14O and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-methyl-3-phenyl-1H-inden-2-one.

Molecular Properties

Compound Name3-methyl-3-phenyl-1H-inden-2-one
PubChem CID66651875
Molecular FormulaC16H14O
Molecular Weight222.29 g/mol
Exact Mass222.10
IUPAC Name3-methyl-3-phenyl-1H-inden-2-one
SMILESCC1(c2ccccc2)C(=O)Cc2ccccc21
InChIInChI=1S/C16H14O/c1-16(13-8-3-2-4-9-13)14-10-6-5-7-12(14)11-15(16)17/h2-10H,11H2,1H3
InChIKeyAPMHABHDXUJVJI-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-phenyl-1H-inden-2-one?
The IUPAC name of 3-methyl-3-phenyl-1H-inden-2-one (CID 66651875) is 3-methyl-3-phenyl-1H-inden-2-one.
What is the SMILES notation for 3-methyl-3-phenyl-1H-inden-2-one?
The canonical SMILES for 3-methyl-3-phenyl-1H-inden-2-one is CC1(c2ccccc2)C(=O)Cc2ccccc21.
What is the InChIKey of 3-methyl-3-phenyl-1H-inden-2-one?
The InChIKey is APMHABHDXUJVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O/c1-16(13-8-3-2-4-9-13)14-10-6-5-7-12(14)11-15(16)17/h2-10H,11H2,1H3.
What are the key properties of 3-methyl-3-phenyl-1H-inden-2-one?
3-methyl-3-phenyl-1H-inden-2-one has a molecular weight of 222.29 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-phenyl-1H-inden-2-one is sourced from PubChem (CID 66651875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).