2-methoxy-1-(4-methoxy-2,5-dimethylphenyl)-2-phenylethanone

C18H20O3 — CID 116751452

IUPAC2-methoxy-1-(4-methoxy-2,5-dimethylphenyl)-2-phenylethanone
SMILESCOc1cc(C)c(C(=O)C(OC)c2ccccc2)cc1C
InChIInChI=1S/C18H20O3/c1-12-11-16(20-3)13(2)10-15(12)17(19)18(21-4)14-8-6-5-7-9-14/h5-11,18H,1-4H3
InChIKeyQNUKXMSQPYRPJY-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.88
Rot. Bonds5

About 2-methoxy-1-(4-methoxy-2,5-dimethylphenyl)-2-phenylethanone

2-methoxy-1-(4-methoxy-2,5-dimethylphenyl)-2-phenylethanone (PubChem CID 116751452) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-methoxy-1-(4-methoxy-2,5-dimethylphenyl)-2-phenylethanone.

Molecular Properties

Compound Name2-methoxy-1-(4-methoxy-2,5-dimethylphenyl)-2-phenylethanone
PubChem CID116751452
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name2-methoxy-1-(4-methoxy-2,5-dimethylphenyl)-2-phenylethanone
SMILESCOc1cc(C)c(C(=O)C(OC)c2ccccc2)cc1C
InChIInChI=1S/C18H20O3/c1-12-11-16(20-3)13(2)10-15(12)17(19)18(21-4)14-8-6-5-7-9-14/h5-11,18H,1-4H3
InChIKeyQNUKXMSQPYRPJY-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-2-methoxyphenyl)-2-methoxy-2-phenylethanone
CID 116751569
1-(4-methoxy-2,5-dimethylphenyl)-2-methylsulfonylpropan-1-one
CID 115797703
ethane;4-methoxy-2,5-dimethylbenzoic acid
CID 145075043
2-hydroxy-1-(4-methoxy-3-methylphenyl)-2-phenylethanone
CID 129094735
1-(4-methoxy-2,5-dimethylphenyl)-2-propylpentan-1-one
CID 115797809
1-(2-fluoro-4,6-dimethylphenyl)-2-methoxy-2-phenylethanone
CID 106880956
[2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-methoxybenzoate
CID 2926237
CID 59883683
CID 59883683
4-methoxy-N-[(2-methoxyphenyl)methyl]-2,5-dimethylbenzamide
CID 110761590
2-amino-1-(4-methoxy-2,5-dimethylphenyl)-4-methylsulfonylbutan-1-one
CID 116552006
(2R)-2-methoxy-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 883174
1-(4-methoxy-2,5-dimethylphenyl)-3-methylbutane-1,2-dione
CID 82129213

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(4-methoxy-2,5-dimethylphenyl)-2-phenylethanone?
The IUPAC name of 2-methoxy-1-(4-methoxy-2,5-dimethylphenyl)-2-phenylethanone (CID 116751452) is 2-methoxy-1-(4-methoxy-2,5-dimethylphenyl)-2-phenylethanone.
What is the SMILES notation for 2-methoxy-1-(4-methoxy-2,5-dimethylphenyl)-2-phenylethanone?
The canonical SMILES for 2-methoxy-1-(4-methoxy-2,5-dimethylphenyl)-2-phenylethanone is COc1cc(C)c(C(=O)C(OC)c2ccccc2)cc1C.
What is the InChIKey of 2-methoxy-1-(4-methoxy-2,5-dimethylphenyl)-2-phenylethanone?
The InChIKey is QNUKXMSQPYRPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-12-11-16(20-3)13(2)10-15(12)17(19)18(21-4)14-8-6-5-7-9-14/h5-11,18H,1-4H3.
What are the key properties of 2-methoxy-1-(4-methoxy-2,5-dimethylphenyl)-2-phenylethanone?
2-methoxy-1-(4-methoxy-2,5-dimethylphenyl)-2-phenylethanone has a molecular weight of 284.36 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(4-methoxy-2,5-dimethylphenyl)-2-phenylethanone is sourced from PubChem (CID 116751452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).