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

C18H20O2 — CID 105078833

IUPAC4-(3-methylphenoxy)-1-(4-methylphenyl)butan-2-one
SMILESCc1ccc(CC(=O)CCOc2cccc(C)c2)cc1
InChIInChI=1S/C18H20O2/c1-14-6-8-16(9-7-14)13-17(19)10-11-20-18-5-3-4-15(2)12-18/h3-9,12H,10-11,13H2,1-2H3
InChIKeyJKFRETPCVHAGJO-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.88
Rot. Bonds6

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

4-(3-methylphenoxy)-1-(4-methylphenyl)butan-2-one (PubChem CID 105078833) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-(3-methylphenoxy)-1-(4-methylphenyl)butan-2-one.

Molecular Properties

Compound Name4-(3-methylphenoxy)-1-(4-methylphenyl)butan-2-one
PubChem CID105078833
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name4-(3-methylphenoxy)-1-(4-methylphenyl)butan-2-one
SMILESCc1ccc(CC(=O)CCOc2cccc(C)c2)cc1
InChIInChI=1S/C18H20O2/c1-14-6-8-16(9-7-14)13-17(19)10-11-20-18-5-3-4-15(2)12-18/h3-9,12H,10-11,13H2,1-2H3
InChIKeyJKFRETPCVHAGJO-UHFFFAOYSA-N
XLogP3.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-4-(3-methylphenoxy)butan-2-one
CID 105078427
1-(3-methoxyphenyl)-4-(3-methylphenoxy)butan-2-one
CID 105088613
1-(2,6-dimethylphenyl)-4-(3-methylphenoxy)butan-2-one
CID 105123526
1-(3-methylphenyl)-4-phenoxybutan-2-one
CID 55023485
1-hydroxy-4-(3-methylphenoxy)butan-2-one
CID 95437359
1-(3-methylphenoxy)hex-5-yn-3-one
CID 105076394
4-(3-methylphenoxy)-1-propoxybutan-2-one
CID 105114891
N,N-dimethyl-3-(3-methylphenoxy)propanamide
CID 60637097
1-(2-bromo-5-fluorophenyl)-4-(3-methylphenoxy)butan-2-one
CID 105090148
1-(5-bromo-2-pyridinyl)-4-(3-methylphenoxy)butan-2-one
CID 105128757
5-methyl-1-(3-methylphenoxy)heptan-3-one
CID 105091716
2-(4-bromophenyl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 55431376

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenoxy)-1-(4-methylphenyl)butan-2-one?
The IUPAC name of 4-(3-methylphenoxy)-1-(4-methylphenyl)butan-2-one (CID 105078833) is 4-(3-methylphenoxy)-1-(4-methylphenyl)butan-2-one.
What is the SMILES notation for 4-(3-methylphenoxy)-1-(4-methylphenyl)butan-2-one?
The canonical SMILES for 4-(3-methylphenoxy)-1-(4-methylphenyl)butan-2-one is Cc1ccc(CC(=O)CCOc2cccc(C)c2)cc1.
What is the InChIKey of 4-(3-methylphenoxy)-1-(4-methylphenyl)butan-2-one?
The InChIKey is JKFRETPCVHAGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-14-6-8-16(9-7-14)13-17(19)10-11-20-18-5-3-4-15(2)12-18/h3-9,12H,10-11,13H2,1-2H3.
What are the key properties of 4-(3-methylphenoxy)-1-(4-methylphenyl)butan-2-one?
4-(3-methylphenoxy)-1-(4-methylphenyl)butan-2-one has a molecular weight of 268.36 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenoxy)-1-(4-methylphenyl)butan-2-one is sourced from PubChem (CID 105078833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).