1-(3-methoxy-5-methylphenyl)-2-(4-methoxyphenyl)ethanone

C17H18O3 — CID 58027389

IUPAC1-(3-methoxy-5-methylphenyl)-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)c2cc(C)cc(OC)c2)cc1
InChIInChI=1S/C17H18O3/c1-12-8-14(11-16(9-12)20-3)17(18)10-13-4-6-15(19-2)7-5-13/h4-9,11H,10H2,1-3H3
InChIKeyISOLLWFYNOBEJK-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.44
Rot. Bonds5

About 1-(3-methoxy-5-methylphenyl)-2-(4-methoxyphenyl)ethanone

1-(3-methoxy-5-methylphenyl)-2-(4-methoxyphenyl)ethanone (PubChem CID 58027389) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-(3-methoxy-5-methylphenyl)-2-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(3-methoxy-5-methylphenyl)-2-(4-methoxyphenyl)ethanone
PubChem CID58027389
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name1-(3-methoxy-5-methylphenyl)-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)c2cc(C)cc(OC)c2)cc1
InChIInChI=1S/C17H18O3/c1-12-8-14(11-16(9-12)20-3)17(18)10-13-4-6-15(19-2)7-5-13/h4-9,11H,10H2,1-3H3
InChIKeyISOLLWFYNOBEJK-UHFFFAOYSA-N
XLogP3.44
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)ethanone
CID 641829
1-(3-chloro-5-methylphenyl)-2-(4-methoxyphenyl)ethanone
CID 81323732
1-(6-methoxynaphthalen-2-yl)-2-(4-methylphenyl)ethanone
CID 135061178
1-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)ethanone
CID 43337271
2-(3,4-dimethoxyphenyl)-1-(3,5-dimethylphenyl)ethanone
CID 60919062
4-[2-(4-methoxyphenyl)-2-oxoethyl]benzamide
CID 11673420
1-[3-[(4-methoxyphenyl)methoxy]phenyl]-2-(4-methylphenyl)ethanone;sulfur monoxide
CID 159572663
2-(4-bromophenyl)-1-(3,5-dimethylphenyl)ethanone
CID 63411866
1-(4-methoxyphenyl)-2-(4-propylphenyl)ethanone
CID 71380079
1-(3-methoxy-5-methylphenyl)-2-(2-methylsulfanylpyrimidin-4-yl)ethanone
CID 50898939
1-(furan-3-yl)-2-(4-methoxyphenyl)ethanone
CID 61055091
1-(4-methoxyphenyl)-2-(4-propan-2-ylphenyl)ethanone
CID 62622412

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-5-methylphenyl)-2-(4-methoxyphenyl)ethanone?
The IUPAC name of 1-(3-methoxy-5-methylphenyl)-2-(4-methoxyphenyl)ethanone (CID 58027389) is 1-(3-methoxy-5-methylphenyl)-2-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(3-methoxy-5-methylphenyl)-2-(4-methoxyphenyl)ethanone?
The canonical SMILES for 1-(3-methoxy-5-methylphenyl)-2-(4-methoxyphenyl)ethanone is COc1ccc(CC(=O)c2cc(C)cc(OC)c2)cc1.
What is the InChIKey of 1-(3-methoxy-5-methylphenyl)-2-(4-methoxyphenyl)ethanone?
The InChIKey is ISOLLWFYNOBEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-12-8-14(11-16(9-12)20-3)17(18)10-13-4-6-15(19-2)7-5-13/h4-9,11H,10H2,1-3H3.
What are the key properties of 1-(3-methoxy-5-methylphenyl)-2-(4-methoxyphenyl)ethanone?
1-(3-methoxy-5-methylphenyl)-2-(4-methoxyphenyl)ethanone has a molecular weight of 270.33 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-5-methylphenyl)-2-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 58027389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).