1-[4-(3,4-dimethylphenoxy)phenyl]ethanone

C16H16O2 — CID 11218672

IUPAC1-[4-(3,4-dimethylphenoxy)phenyl]ethanone
SMILESCC(=O)c1ccc(Oc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C16H16O2/c1-11-4-7-16(10-12(11)2)18-15-8-5-14(6-9-15)13(3)17/h4-10H,1-3H3
InChIKeyABRMUKBXEGDKFN-UHFFFAOYSA-N
MW240.30 g/mol
LogP4.30
Rot. Bonds3

About 1-[4-(3,4-dimethylphenoxy)phenyl]ethanone

1-[4-(3,4-dimethylphenoxy)phenyl]ethanone (PubChem CID 11218672) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-[4-(3,4-dimethylphenoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(3,4-dimethylphenoxy)phenyl]ethanone
PubChem CID11218672
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name1-[4-(3,4-dimethylphenoxy)phenyl]ethanone
SMILESCC(=O)c1ccc(Oc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C16H16O2/c1-11-4-7-16(10-12(11)2)18-15-8-5-14(6-9-15)13(3)17/h4-10H,1-3H3
InChIKeyABRMUKBXEGDKFN-UHFFFAOYSA-N
XLogP4.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-dimethylphenoxy)phenyl]ethanone?
The IUPAC name of 1-[4-(3,4-dimethylphenoxy)phenyl]ethanone (CID 11218672) is 1-[4-(3,4-dimethylphenoxy)phenyl]ethanone.
What is the SMILES notation for 1-[4-(3,4-dimethylphenoxy)phenyl]ethanone?
The canonical SMILES for 1-[4-(3,4-dimethylphenoxy)phenyl]ethanone is CC(=O)c1ccc(Oc2ccc(C)c(C)c2)cc1.
What is the InChIKey of 1-[4-(3,4-dimethylphenoxy)phenyl]ethanone?
The InChIKey is ABRMUKBXEGDKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-11-4-7-16(10-12(11)2)18-15-8-5-14(6-9-15)13(3)17/h4-10H,1-3H3.
What are the key properties of 1-[4-(3,4-dimethylphenoxy)phenyl]ethanone?
1-[4-(3,4-dimethylphenoxy)phenyl]ethanone has a molecular weight of 240.30 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-dimethylphenoxy)phenyl]ethanone is sourced from PubChem (CID 11218672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).