3-(2-methylphenyl)-1-naphthalen-2-ylpropan-1-one

C20H18O — CID 105094898

IUPAC3-(2-methylphenyl)-1-naphthalen-2-ylpropan-1-one
SMILESCc1ccccc1CCC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H18O/c1-15-6-2-3-7-16(15)12-13-20(21)19-11-10-17-8-4-5-9-18(17)14-19/h2-11,14H,12-13H2,1H3
InChIKeyGNUOKCLGAYJSDH-UHFFFAOYSA-N
MW274.36 g/mol
LogP4.96
Rot. Bonds4

About 3-(2-methylphenyl)-1-naphthalen-2-ylpropan-1-one

3-(2-methylphenyl)-1-naphthalen-2-ylpropan-1-one (PubChem CID 105094898) has the molecular formula C20H18O and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-(2-methylphenyl)-1-naphthalen-2-ylpropan-1-one.

Molecular Properties

Compound Name3-(2-methylphenyl)-1-naphthalen-2-ylpropan-1-one
PubChem CID105094898
Molecular FormulaC20H18O
Molecular Weight274.36 g/mol
Exact Mass274.14
IUPAC Name3-(2-methylphenyl)-1-naphthalen-2-ylpropan-1-one
SMILESCc1ccccc1CCC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H18O/c1-15-6-2-3-7-16(15)12-13-20(21)19-11-10-17-8-4-5-9-18(17)14-19/h2-11,14H,12-13H2,1H3
InChIKeyGNUOKCLGAYJSDH-UHFFFAOYSA-N
XLogP4.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,4-dinaphthalen-2-ylbutane-1,4-dione
CID 593323
1-(4-cyclopropyloxyphenyl)-3-(2-methylphenyl)propan-1-one
CID 105134381
3-(2,4-dimethylcyclopenta-1,3-dien-1-yl)-1-naphthalen-2-ylpropan-1-one
CID 174473380
1-(3-fluoro-4-methoxyphenyl)-3-(2-methylphenyl)propan-1-one
CID 91755550
3-(2-methylphenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-one
CID 24725641
3-[3-(2-methylphenyl)propanoyl]benzonitrile
CID 24725616
3-(2,3-dimethylphenyl)-1-(3,4-dimethylphenyl)propan-1-one
CID 24726242
1,5-bis(2-methylphenyl)pentan-3-one
CID 15191871
1-(6-butanoylnaphthalen-2-yl)butan-1-one
CID 170450514
1-(2-hydroxyphenyl)-3-(2-methylphenyl)propan-1-one
CID 90102883
1-(4-methylphenyl)-3-naphthalen-1-ylpropan-1-one
CID 82185648
8-hydroxy-1-naphthalen-2-yloctan-1-one
CID 23072385

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-1-naphthalen-2-ylpropan-1-one?
The IUPAC name of 3-(2-methylphenyl)-1-naphthalen-2-ylpropan-1-one (CID 105094898) is 3-(2-methylphenyl)-1-naphthalen-2-ylpropan-1-one.
What is the SMILES notation for 3-(2-methylphenyl)-1-naphthalen-2-ylpropan-1-one?
The canonical SMILES for 3-(2-methylphenyl)-1-naphthalen-2-ylpropan-1-one is Cc1ccccc1CCC(=O)c1ccc2ccccc2c1.
What is the InChIKey of 3-(2-methylphenyl)-1-naphthalen-2-ylpropan-1-one?
The InChIKey is GNUOKCLGAYJSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O/c1-15-6-2-3-7-16(15)12-13-20(21)19-11-10-17-8-4-5-9-18(17)14-19/h2-11,14H,12-13H2,1H3.
What are the key properties of 3-(2-methylphenyl)-1-naphthalen-2-ylpropan-1-one?
3-(2-methylphenyl)-1-naphthalen-2-ylpropan-1-one has a molecular weight of 274.36 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-1-naphthalen-2-ylpropan-1-one is sourced from PubChem (CID 105094898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).