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

C19H20O3 — CID 101455573

IUPAC2-(3,4-dimethoxyphenyl)-2-methyl-3,4-dihydronaphthalen-1-one
SMILESCOc1ccc(C2(C)CCc3ccccc3C2=O)cc1OC
InChIInChI=1S/C19H20O3/c1-19(14-8-9-16(21-2)17(12-14)22-3)11-10-13-6-4-5-7-15(13)18(19)20/h4-9,12H,10-11H2,1-3H3
InChIKeyXTBXSHKMSSVCKM-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.79
Rot. Bonds3

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

2-(3,4-dimethoxyphenyl)-2-methyl-3,4-dihydronaphthalen-1-one (PubChem CID 101455573) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-2-methyl-3,4-dihydronaphthalen-1-one.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-2-methyl-3,4-dihydronaphthalen-1-one
PubChem CID101455573
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Name2-(3,4-dimethoxyphenyl)-2-methyl-3,4-dihydronaphthalen-1-one
SMILESCOc1ccc(C2(C)CCc3ccccc3C2=O)cc1OC
InChIInChI=1S/C19H20O3/c1-19(14-8-9-16(21-2)17(12-14)22-3)11-10-13-6-4-5-7-15(13)18(19)20/h4-9,12H,10-11H2,1-3H3
InChIKeyXTBXSHKMSSVCKM-UHFFFAOYSA-N
XLogP3.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-(4-methylphenyl)-3,4-dihydronaphthalen-1-one
CID 86243907
2-(3,4-dimethoxyphenyl)-3,4-dihydro-1H-naphthalen-2-ol
CID 62788137
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
1',1'-dibromo-3'-(3,4,5-trimethoxyphenyl)spiro[3,4-dihydronaphthalene-2,2'-cyclopropane]-1-one
CID 78112026
2-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydroisoquinolin-1-one
CID 10859894
2-(2-amino-1,3-selenazol-4-yl)-2-methyl-3,4-dihydronaphthalen-1-one
CID 13163757
2-(3,4-dimethoxyphenyl)-2-methylcyclopropan-1-amine
CID 62387494
5-(3,4-dimethoxyphenyl)-5-methylpiperazine-2,3-dione
CID 116856099
(5S)-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 2384607
4-(2,3-dihydro-1H-inden-2-ylamino)-1-(3,4-dimethoxyphenyl)cyclohexane-1-carbonitrile;hydrochloride
CID 14392041
2-[(2,5-dimethoxyphenyl)methyl]-2-(2-phenylethynyl)-3,4-dihydronaphthalen-1-one
CID 102033873

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-2-methyl-3,4-dihydronaphthalen-1-one?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-2-methyl-3,4-dihydronaphthalen-1-one (CID 101455573) is 2-(3,4-dimethoxyphenyl)-2-methyl-3,4-dihydronaphthalen-1-one.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-2-methyl-3,4-dihydronaphthalen-1-one?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-2-methyl-3,4-dihydronaphthalen-1-one is COc1ccc(C2(C)CCc3ccccc3C2=O)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-2-methyl-3,4-dihydronaphthalen-1-one?
The InChIKey is XTBXSHKMSSVCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O3/c1-19(14-8-9-16(21-2)17(12-14)22-3)11-10-13-6-4-5-7-15(13)18(19)20/h4-9,12H,10-11H2,1-3H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-2-methyl-3,4-dihydronaphthalen-1-one?
2-(3,4-dimethoxyphenyl)-2-methyl-3,4-dihydronaphthalen-1-one has a molecular weight of 296.37 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-2-methyl-3,4-dihydronaphthalen-1-one is sourced from PubChem (CID 101455573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).