1-[3-[(3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanone

C18H20O3 — CID 43414176

IUPAC1-[3-[(3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanone
SMILESCOc1ccc(C(C)=O)cc1COc1cc(C)cc(C)c1
InChIInChI=1S/C18H20O3/c1-12-7-13(2)9-17(8-12)21-11-16-10-15(14(3)19)5-6-18(16)20-4/h5-10H,11H2,1-4H3
InChIKeyUDOWFIAGWJGHLW-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.09
Rot. Bonds5

About 1-[3-[(3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanone

1-[3-[(3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanone (PubChem CID 43414176) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[3-[(3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanone.

Molecular Properties

Compound Name1-[3-[(3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanone
PubChem CID43414176
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name1-[3-[(3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanone
SMILESCOc1ccc(C(C)=O)cc1COc1cc(C)cc(C)c1
InChIInChI=1S/C18H20O3/c1-12-7-13(2)9-17(8-12)21-11-16-10-15(14(3)19)5-6-18(16)20-4/h5-10H,11H2,1-4H3
InChIKeyUDOWFIAGWJGHLW-UHFFFAOYSA-N
XLogP4.09
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 ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanone
CID 60661065
1-[4-methoxy-3-(naphthalen-2-yloxymethyl)phenyl]ethanone
CID 7919546
1-[3-[(2-chloro-5-methylphenoxy)methyl]-4-methoxyphenyl]ethanone
CID 60627244
3-[(3,5-dimethylphenoxy)methyl]-4-methoxyaniline
CID 43247193
3-[(5-acetyl-2-methoxyphenyl)methoxy]benzonitrile
CID 4808187
1-[3-(hydroxymethyl)-4-methoxyphenyl]ethanone
CID 4689851
2-(5-acetyl-2-methoxyphenyl)acetic acid
CID 2535148
methyl 2-[(5-acetyl-2-methoxyphenyl)methoxy]-4-methoxybenzoate
CID 7705078
3-[(3,5-dimethylphenoxy)methyl]-N-[1-(4-fluorophenyl)ethyl]-4-methoxybenzamide
CID 133178007
1-[3-[[(S)-(3,5-dimethylphenyl)methylsulfinyl]methyl]-4-methoxyphenyl]ethanone
CID 95169203
(5-acetyl-2-methoxyphenyl)methyl 2,3,4,5,6-pentamethylbenzoate
CID 7235428
1-[3-[(5-bromo-2-methoxyphenyl)methoxy]phenyl]ethanone
CID 55399315

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanone?
The IUPAC name of 1-[3-[(3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanone (CID 43414176) is 1-[3-[(3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanone.
What is the SMILES notation for 1-[3-[(3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanone?
The canonical SMILES for 1-[3-[(3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanone is COc1ccc(C(C)=O)cc1COc1cc(C)cc(C)c1.
What is the InChIKey of 1-[3-[(3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanone?
The InChIKey is UDOWFIAGWJGHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-12-7-13(2)9-17(8-12)21-11-16-10-15(14(3)19)5-6-18(16)20-4/h5-10H,11H2,1-4H3.
What are the key properties of 1-[3-[(3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanone?
1-[3-[(3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanone has a molecular weight of 284.36 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanone is sourced from PubChem (CID 43414176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).