2-methyl-2-(4-methylphenyl)-3,4-dihydronaphthalen-1-one

C18H18O — CID 86243907

IUPAC2-methyl-2-(4-methylphenyl)-3,4-dihydronaphthalen-1-one
SMILESCc1ccc(C2(C)CCc3ccccc3C2=O)cc1
InChIInChI=1S/C18H18O/c1-13-7-9-15(10-8-13)18(2)12-11-14-5-3-4-6-16(14)17(18)19/h3-10H,11-12H2,1-2H3
InChIKeyGRAHGKOTQISAIV-UHFFFAOYSA-N
MW250.34 g/mol
LogP4.08
Rot. Bonds1

About 2-methyl-2-(4-methylphenyl)-3,4-dihydronaphthalen-1-one

2-methyl-2-(4-methylphenyl)-3,4-dihydronaphthalen-1-one (PubChem CID 86243907) has the molecular formula C18H18O and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-methyl-2-(4-methylphenyl)-3,4-dihydronaphthalen-1-one.

Molecular Properties

Compound Name2-methyl-2-(4-methylphenyl)-3,4-dihydronaphthalen-1-one
PubChem CID86243907
Molecular FormulaC18H18O
Molecular Weight250.34 g/mol
Exact Mass250.14
IUPAC Name2-methyl-2-(4-methylphenyl)-3,4-dihydronaphthalen-1-one
SMILESCc1ccc(C2(C)CCc3ccccc3C2=O)cc1
InChIInChI=1S/C18H18O/c1-13-7-9-15(10-8-13)18(2)12-11-14-5-3-4-6-16(14)17(18)19/h3-10H,11-12H2,1-2H3
InChIKeyGRAHGKOTQISAIV-UHFFFAOYSA-N
XLogP4.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3,4-dimethoxyphenyl)-2-methyl-3,4-dihydronaphthalen-1-one
CID 101455573
2-(2,6-dimethylpyrimidin-4-yl)-2-methyl-3,4-dihydronaphthalen-1-one
CID 154501278
(2R)-2-hydroxy-2-methyl-3,4-dihydronaphthalen-1-one
CID 14120941
2-(2-amino-1,3-selenazol-4-yl)-2-methyl-3,4-dihydronaphthalen-1-one
CID 13163757
3-methyl-3-(4-methylphenyl)-4H-isochromen-1-one
CID 175365018
2-(hydroxymethyl)-2-methyl-3,4-dihydronaphthalen-1-one
CID 11344499
(2S,4'S)-4'-(4-methylphenyl)spiro[3,4-dihydronaphthalene-2,5'-3,4-dihydropyrazole]-1-one
CID 7313502
3,3-dimethyl-4,5-dihydro-2H-2-benzazepin-1-one
CID 22903646
2,4-dimethyl-4-(4-methylphenyl)cyclohexane-1,3-dione
CID 23631201
2-benzoyl-2-methyl-3,4-dihydronaphthalen-1-one
CID 14591548
(2S)-2-methyl-2-prop-2-enyl-3,4-dihydronaphthalen-1-one
CID 45096682
(2S)-2-ethyl-2-fluoro-3,4-dihydronaphthalen-1-one
CID 10774110

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(4-methylphenyl)-3,4-dihydronaphthalen-1-one?
The IUPAC name of 2-methyl-2-(4-methylphenyl)-3,4-dihydronaphthalen-1-one (CID 86243907) is 2-methyl-2-(4-methylphenyl)-3,4-dihydronaphthalen-1-one.
What is the SMILES notation for 2-methyl-2-(4-methylphenyl)-3,4-dihydronaphthalen-1-one?
The canonical SMILES for 2-methyl-2-(4-methylphenyl)-3,4-dihydronaphthalen-1-one is Cc1ccc(C2(C)CCc3ccccc3C2=O)cc1.
What is the InChIKey of 2-methyl-2-(4-methylphenyl)-3,4-dihydronaphthalen-1-one?
The InChIKey is GRAHGKOTQISAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O/c1-13-7-9-15(10-8-13)18(2)12-11-14-5-3-4-6-16(14)17(18)19/h3-10H,11-12H2,1-2H3.
What are the key properties of 2-methyl-2-(4-methylphenyl)-3,4-dihydronaphthalen-1-one?
2-methyl-2-(4-methylphenyl)-3,4-dihydronaphthalen-1-one has a molecular weight of 250.34 g/mol, XLogP of 4.08, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4-methylphenyl)-3,4-dihydronaphthalen-1-one is sourced from PubChem (CID 86243907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).