2,2-dimethyl-1-[6-(2-methylpropanoyl)naphthalen-2-yl]propan-1-one

C19H22O2 — CID 144517477

IUPAC2,2-dimethyl-1-[6-(2-methylpropanoyl)naphthalen-2-yl]propan-1-one
SMILESCC(C)C(=O)c1ccc2cc(C(=O)C(C)(C)C)ccc2c1
InChIInChI=1S/C19H22O2/c1-12(2)17(20)15-8-6-14-11-16(9-7-13(14)10-15)18(21)19(3,4)5/h6-12H,1-5H3
InChIKeyBQCLHDPDYOKOHL-UHFFFAOYSA-N
MW282.38 g/mol
LogP4.91
Rot. Bonds3

About 2,2-dimethyl-1-[6-(2-methylpropanoyl)naphthalen-2-yl]propan-1-one

2,2-dimethyl-1-[6-(2-methylpropanoyl)naphthalen-2-yl]propan-1-one (PubChem CID 144517477) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2,2-dimethyl-1-[6-(2-methylpropanoyl)naphthalen-2-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[6-(2-methylpropanoyl)naphthalen-2-yl]propan-1-one
PubChem CID144517477
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name2,2-dimethyl-1-[6-(2-methylpropanoyl)naphthalen-2-yl]propan-1-one
SMILESCC(C)C(=O)c1ccc2cc(C(=O)C(C)(C)C)ccc2c1
InChIInChI=1S/C19H22O2/c1-12(2)17(20)15-8-6-14-11-16(9-7-13(14)10-15)18(21)19(3,4)5/h6-12H,1-5H3
InChIKeyBQCLHDPDYOKOHL-UHFFFAOYSA-N
XLogP4.91
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[6-(2-methylpropanoyl)naphthalen-2-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[6-(2-methylpropanoyl)naphthalen-2-yl]propan-1-one (CID 144517477) is 2,2-dimethyl-1-[6-(2-methylpropanoyl)naphthalen-2-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[6-(2-methylpropanoyl)naphthalen-2-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[6-(2-methylpropanoyl)naphthalen-2-yl]propan-1-one is CC(C)C(=O)c1ccc2cc(C(=O)C(C)(C)C)ccc2c1.
What is the InChIKey of 2,2-dimethyl-1-[6-(2-methylpropanoyl)naphthalen-2-yl]propan-1-one?
The InChIKey is BQCLHDPDYOKOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-12(2)17(20)15-8-6-14-11-16(9-7-13(14)10-15)18(21)19(3,4)5/h6-12H,1-5H3.
What are the key properties of 2,2-dimethyl-1-[6-(2-methylpropanoyl)naphthalen-2-yl]propan-1-one?
2,2-dimethyl-1-[6-(2-methylpropanoyl)naphthalen-2-yl]propan-1-one has a molecular weight of 282.38 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[6-(2-methylpropanoyl)naphthalen-2-yl]propan-1-one is sourced from PubChem (CID 144517477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).