1-[6-methyl-3-(4-methylphenyl)-1H-inden-2-yl]ethanone

C19H18O — CID 59083216

IUPAC1-[6-methyl-3-(4-methylphenyl)-1H-inden-2-yl]ethanone
SMILESCC(=O)C1=C(c2ccc(C)cc2)c2ccc(C)cc2C1
InChIInChI=1S/C19H18O/c1-12-4-7-15(8-5-12)19-17-9-6-13(2)10-16(17)11-18(19)14(3)20/h4-10H,11H2,1-3H3
InChIKeySWOJYPFZOOHJKL-UHFFFAOYSA-N
MW262.35 g/mol
LogP4.25
Rot. Bonds2

About 1-[6-methyl-3-(4-methylphenyl)-1H-inden-2-yl]ethanone

1-[6-methyl-3-(4-methylphenyl)-1H-inden-2-yl]ethanone (PubChem CID 59083216) has the molecular formula C19H18O and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[6-methyl-3-(4-methylphenyl)-1H-inden-2-yl]ethanone.

Molecular Properties

Compound Name1-[6-methyl-3-(4-methylphenyl)-1H-inden-2-yl]ethanone
PubChem CID59083216
Molecular FormulaC19H18O
Molecular Weight262.35 g/mol
Exact Mass262.14
IUPAC Name1-[6-methyl-3-(4-methylphenyl)-1H-inden-2-yl]ethanone
SMILESCC(=O)C1=C(c2ccc(C)cc2)c2ccc(C)cc2C1
InChIInChI=1S/C19H18O/c1-12-4-7-15(8-5-12)19-17-9-6-13(2)10-16(17)11-18(19)14(3)20/h4-10H,11H2,1-3H3
InChIKeySWOJYPFZOOHJKL-UHFFFAOYSA-N
XLogP4.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[6-methyl-3-(4-methylphenyl)-1H-inden-2-yl]ethanone?
The IUPAC name of 1-[6-methyl-3-(4-methylphenyl)-1H-inden-2-yl]ethanone (CID 59083216) is 1-[6-methyl-3-(4-methylphenyl)-1H-inden-2-yl]ethanone.
What is the SMILES notation for 1-[6-methyl-3-(4-methylphenyl)-1H-inden-2-yl]ethanone?
The canonical SMILES for 1-[6-methyl-3-(4-methylphenyl)-1H-inden-2-yl]ethanone is CC(=O)C1=C(c2ccc(C)cc2)c2ccc(C)cc2C1.
What is the InChIKey of 1-[6-methyl-3-(4-methylphenyl)-1H-inden-2-yl]ethanone?
The InChIKey is SWOJYPFZOOHJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O/c1-12-4-7-15(8-5-12)19-17-9-6-13(2)10-16(17)11-18(19)14(3)20/h4-10H,11H2,1-3H3.
What are the key properties of 1-[6-methyl-3-(4-methylphenyl)-1H-inden-2-yl]ethanone?
1-[6-methyl-3-(4-methylphenyl)-1H-inden-2-yl]ethanone has a molecular weight of 262.35 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-methyl-3-(4-methylphenyl)-1H-inden-2-yl]ethanone is sourced from PubChem (CID 59083216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).