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

C18H18O — CID 164527986

IUPAC1-methyl-1-(2-methylphenyl)-3,4-dihydronaphthalen-2-one
SMILESCc1ccccc1C1(C)C(=O)CCc2ccccc21
InChIInChI=1S/C18H18O/c1-13-7-3-5-9-15(13)18(2)16-10-6-4-8-14(16)11-12-17(18)19/h3-10H,11-12H2,1-2H3
InChIKeyUCQNDOJTNOBSIE-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.82
Rot. Bonds1

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

1-methyl-1-(2-methylphenyl)-3,4-dihydronaphthalen-2-one (PubChem CID 164527986) has the molecular formula C18H18O and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-methyl-1-(2-methylphenyl)-3,4-dihydronaphthalen-2-one.

Molecular Properties

Compound Name1-methyl-1-(2-methylphenyl)-3,4-dihydronaphthalen-2-one
PubChem CID164527986
Molecular FormulaC18H18O
Molecular Weight250.34 g/mol
Exact Mass250.14
IUPAC Name1-methyl-1-(2-methylphenyl)-3,4-dihydronaphthalen-2-one
SMILESCc1ccccc1C1(C)C(=O)CCc2ccccc21
InChIInChI=1S/C18H18O/c1-13-7-3-5-9-15(13)18(2)16-10-6-4-8-14(16)11-12-17(18)19/h3-10H,11-12H2,1-2H3
InChIKeyUCQNDOJTNOBSIE-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-1-propan-2-yl-3,4-dihydronaphthalen-2-one
CID 170601933
1-benzyl-1-methyl-3,4-dihydronaphthalen-2-one
CID 10243846
9-methyl-9-(2-methylphenyl)fluorene
CID 14387659
1-(3-bromopropyl)-1-methyl-3,4-dihydronaphthalen-2-one
CID 21410150
(2R)-2-amino-2-(2-methylphenyl)cyclohexan-1-one
CID 156538428
3-methyl-3-phenyl-1H-inden-2-one
CID 66651875
1-methyl-1-(3-oxobutyl)-3,4-dihydronaphthalen-2-one
CID 15148757
8-methylspiro[3,4-dihydronaphthalene-1,1'-cyclopentane]-2-one
CID 115010885
8-amino-1,1-dimethyl-3,4-dihydronaphthalen-2-one
CID 135280999
1-(2-bromo-1-methylcyclopropyl)-2-methylbenzene
CID 102395819
(2R)-2-fluoro-2-(2-methylphenyl)-3H-inden-1-one
CID 134956870
1',4'-dimethylspiro[1,2-dihydroindene-3,3'-indole]-2'-one
CID 102369514

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(2-methylphenyl)-3,4-dihydronaphthalen-2-one?
The IUPAC name of 1-methyl-1-(2-methylphenyl)-3,4-dihydronaphthalen-2-one (CID 164527986) is 1-methyl-1-(2-methylphenyl)-3,4-dihydronaphthalen-2-one.
What is the SMILES notation for 1-methyl-1-(2-methylphenyl)-3,4-dihydronaphthalen-2-one?
The canonical SMILES for 1-methyl-1-(2-methylphenyl)-3,4-dihydronaphthalen-2-one is Cc1ccccc1C1(C)C(=O)CCc2ccccc21.
What is the InChIKey of 1-methyl-1-(2-methylphenyl)-3,4-dihydronaphthalen-2-one?
The InChIKey is UCQNDOJTNOBSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O/c1-13-7-3-5-9-15(13)18(2)16-10-6-4-8-14(16)11-12-17(18)19/h3-10H,11-12H2,1-2H3.
What are the key properties of 1-methyl-1-(2-methylphenyl)-3,4-dihydronaphthalen-2-one?
1-methyl-1-(2-methylphenyl)-3,4-dihydronaphthalen-2-one has a molecular weight of 250.34 g/mol, XLogP of 3.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(2-methylphenyl)-3,4-dihydronaphthalen-2-one is sourced from PubChem (CID 164527986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).