3-methoxy-1,4-diphenylbutan-1-one

C17H18O2 — CID 15888411

IUPAC3-methoxy-1,4-diphenylbutan-1-one
SMILESCOC(CC(=O)c1ccccc1)Cc1ccccc1
InChIInChI=1S/C17H18O2/c1-19-16(12-14-8-4-2-5-9-14)13-17(18)15-10-6-3-7-11-15/h2-11,16H,12-13H2,1H3
InChIKeyZBIHWDLCZAQYQE-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.52
Rot. Bonds6

About 3-methoxy-1,4-diphenylbutan-1-one

3-methoxy-1,4-diphenylbutan-1-one (PubChem CID 15888411) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-methoxy-1,4-diphenylbutan-1-one.

Molecular Properties

Compound Name3-methoxy-1,4-diphenylbutan-1-one
PubChem CID15888411
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name3-methoxy-1,4-diphenylbutan-1-one
SMILESCOC(CC(=O)c1ccccc1)Cc1ccccc1
InChIInChI=1S/C17H18O2/c1-19-16(12-14-8-4-2-5-9-14)13-17(18)15-10-6-3-7-11-15/h2-11,16H,12-13H2,1H3
InChIKeyZBIHWDLCZAQYQE-UHFFFAOYSA-N
XLogP3.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-methoxy-1,4-diphenylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1,4-diphenylbutan-1-one?
The IUPAC name of 3-methoxy-1,4-diphenylbutan-1-one (CID 15888411) is 3-methoxy-1,4-diphenylbutan-1-one.
What is the SMILES notation for 3-methoxy-1,4-diphenylbutan-1-one?
The canonical SMILES for 3-methoxy-1,4-diphenylbutan-1-one is COC(CC(=O)c1ccccc1)Cc1ccccc1.
What is the InChIKey of 3-methoxy-1,4-diphenylbutan-1-one?
The InChIKey is ZBIHWDLCZAQYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-19-16(12-14-8-4-2-5-9-14)13-17(18)15-10-6-3-7-11-15/h2-11,16H,12-13H2,1H3.
What are the key properties of 3-methoxy-1,4-diphenylbutan-1-one?
3-methoxy-1,4-diphenylbutan-1-one has a molecular weight of 254.33 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1,4-diphenylbutan-1-one is sourced from PubChem (CID 15888411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).