1-(2,6-dimethoxyphenyl)-2-(3,5-dimethylphenyl)ethanone

C18H20O3 — CID 116809971

IUPAC1-(2,6-dimethoxyphenyl)-2-(3,5-dimethylphenyl)ethanone
SMILESCOc1cccc(OC)c1C(=O)Cc1cc(C)cc(C)c1
InChIInChI=1S/C18H20O3/c1-12-8-13(2)10-14(9-12)11-15(19)18-16(20-3)6-5-7-17(18)21-4/h5-10H,11H2,1-4H3
InChIKeyOCVJNKSKJQBCAS-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.75
Rot. Bonds5

About 1-(2,6-dimethoxyphenyl)-2-(3,5-dimethylphenyl)ethanone

1-(2,6-dimethoxyphenyl)-2-(3,5-dimethylphenyl)ethanone (PubChem CID 116809971) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(2,6-dimethoxyphenyl)-2-(3,5-dimethylphenyl)ethanone.

Molecular Properties

Compound Name1-(2,6-dimethoxyphenyl)-2-(3,5-dimethylphenyl)ethanone
PubChem CID116809971
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name1-(2,6-dimethoxyphenyl)-2-(3,5-dimethylphenyl)ethanone
SMILESCOc1cccc(OC)c1C(=O)Cc1cc(C)cc(C)c1
InChIInChI=1S/C18H20O3/c1-12-8-13(2)10-14(9-12)11-15(19)18-16(20-3)6-5-7-17(18)21-4/h5-10H,11H2,1-4H3
InChIKeyOCVJNKSKJQBCAS-UHFFFAOYSA-N
XLogP3.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dimethylphenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-one
CID 104793415
2-(3,5-dimethylphenyl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 106790381
1-(2,6-dimethoxyphenyl)-2-(2-methoxyphenyl)ethanone
CID 61080267
1-(4-bromo-2-methoxyphenyl)-2-(3,5-dimethylphenyl)ethanone
CID 114963290
2-(4-fluorophenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanone
CID 106679903
2-(3,4-dimethoxyphenyl)-1-(3,5-dimethylphenyl)ethanone
CID 60919062
1-(4,5-dimethoxy-2-methylphenyl)-2-(3-methylphenyl)ethanone
CID 62389766
1-(2,4-dimethoxyphenyl)-2-(3-methylphenyl)ethanone
CID 62387371
1-(2-fluoro-3-methoxyphenyl)-3-(3-methylphenyl)propan-2-one
CID 104793404
2-(3,5-dimethylphenyl)-1-(2-methylphenyl)ethanone
CID 54911077
1-(2,3-dimethoxyphenyl)-2-(4-methylphenyl)ethanone
CID 61079926
1-(2-fluoro-3-methoxyphenyl)-2-(4-methylphenyl)ethanone
CID 82808065

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethoxyphenyl)-2-(3,5-dimethylphenyl)ethanone?
The IUPAC name of 1-(2,6-dimethoxyphenyl)-2-(3,5-dimethylphenyl)ethanone (CID 116809971) is 1-(2,6-dimethoxyphenyl)-2-(3,5-dimethylphenyl)ethanone.
What is the SMILES notation for 1-(2,6-dimethoxyphenyl)-2-(3,5-dimethylphenyl)ethanone?
The canonical SMILES for 1-(2,6-dimethoxyphenyl)-2-(3,5-dimethylphenyl)ethanone is COc1cccc(OC)c1C(=O)Cc1cc(C)cc(C)c1.
What is the InChIKey of 1-(2,6-dimethoxyphenyl)-2-(3,5-dimethylphenyl)ethanone?
The InChIKey is OCVJNKSKJQBCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-12-8-13(2)10-14(9-12)11-15(19)18-16(20-3)6-5-7-17(18)21-4/h5-10H,11H2,1-4H3.
What are the key properties of 1-(2,6-dimethoxyphenyl)-2-(3,5-dimethylphenyl)ethanone?
1-(2,6-dimethoxyphenyl)-2-(3,5-dimethylphenyl)ethanone has a molecular weight of 284.36 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethoxyphenyl)-2-(3,5-dimethylphenyl)ethanone is sourced from PubChem (CID 116809971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).