1-(3-methoxyphenyl)-4-(3-methylphenoxy)butan-2-one

C18H20O3 — CID 105088613

IUPAC1-(3-methoxyphenyl)-4-(3-methylphenoxy)butan-2-one
SMILESCOc1cccc(CC(=O)CCOc2cccc(C)c2)c1
InChIInChI=1S/C18H20O3/c1-14-5-3-8-18(11-14)21-10-9-16(19)12-15-6-4-7-17(13-15)20-2/h3-8,11,13H,9-10,12H2,1-2H3
InChIKeyVYJNLERUKKAIEY-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.58
Rot. Bonds7

About 1-(3-methoxyphenyl)-4-(3-methylphenoxy)butan-2-one

1-(3-methoxyphenyl)-4-(3-methylphenoxy)butan-2-one (PubChem CID 105088613) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-4-(3-methylphenoxy)butan-2-one.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-4-(3-methylphenoxy)butan-2-one
PubChem CID105088613
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name1-(3-methoxyphenyl)-4-(3-methylphenoxy)butan-2-one
SMILESCOc1cccc(CC(=O)CCOc2cccc(C)c2)c1
InChIInChI=1S/C18H20O3/c1-14-5-3-8-18(11-14)21-10-9-16(19)12-15-6-4-7-17(13-15)20-2/h3-8,11,13H,9-10,12H2,1-2H3
InChIKeyVYJNLERUKKAIEY-UHFFFAOYSA-N
XLogP3.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylphenyl)-4-phenoxybutan-2-one
CID 55023485
4-(3-methylphenoxy)-1-(4-methylphenyl)butan-2-one
CID 105078833
1-(4-fluorophenyl)-4-(3-methylphenoxy)butan-2-one
CID 105078427
1-(2,6-dimethylphenyl)-4-(3-methylphenoxy)butan-2-one
CID 105123526
1-hydroxy-4-(3-methylphenoxy)butan-2-one
CID 95437359
5-hydroxy-1-(3-methoxyphenyl)pentan-2-one
CID 106677432
1-(3-methylphenoxy)hex-5-yn-3-one
CID 105076394
1-(3-methoxyphenyl)heptan-2-one
CID 61056670
5-ethoxy-1-(3-methoxyphenyl)pentan-2-one
CID 105088612
1-(2-aminoethoxy)-3-(3-methoxyphenyl)propan-2-one
CID 116590894
4-(ethylamino)-1-(3-methoxyphenyl)butan-2-one
CID 116565758
4-(3-methylphenoxy)-1-propoxybutan-2-one
CID 105114891

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-4-(3-methylphenoxy)butan-2-one?
The IUPAC name of 1-(3-methoxyphenyl)-4-(3-methylphenoxy)butan-2-one (CID 105088613) is 1-(3-methoxyphenyl)-4-(3-methylphenoxy)butan-2-one.
What is the SMILES notation for 1-(3-methoxyphenyl)-4-(3-methylphenoxy)butan-2-one?
The canonical SMILES for 1-(3-methoxyphenyl)-4-(3-methylphenoxy)butan-2-one is COc1cccc(CC(=O)CCOc2cccc(C)c2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-4-(3-methylphenoxy)butan-2-one?
The InChIKey is VYJNLERUKKAIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-14-5-3-8-18(11-14)21-10-9-16(19)12-15-6-4-7-17(13-15)20-2/h3-8,11,13H,9-10,12H2,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-4-(3-methylphenoxy)butan-2-one?
1-(3-methoxyphenyl)-4-(3-methylphenoxy)butan-2-one has a molecular weight of 284.36 g/mol, XLogP of 3.58, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-4-(3-methylphenoxy)butan-2-one is sourced from PubChem (CID 105088613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).