4-methoxy-1,4-diphenylbutan-2-one

C17H18O2 — CID 24881475

IUPAC4-methoxy-1,4-diphenylbutan-2-one
SMILESCOC(CC(=O)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C17H18O2/c1-19-17(15-10-6-3-7-11-15)13-16(18)12-14-8-4-2-5-9-14/h2-11,17H,12-13H2,1H3
InChIKeySSSLWHBHZIIFPZ-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.58
Rot. Bonds6

About 4-methoxy-1,4-diphenylbutan-2-one

4-methoxy-1,4-diphenylbutan-2-one (PubChem CID 24881475) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-methoxy-1,4-diphenylbutan-2-one.

Molecular Properties

Compound Name4-methoxy-1,4-diphenylbutan-2-one
PubChem CID24881475
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name4-methoxy-1,4-diphenylbutan-2-one
SMILESCOC(CC(=O)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C17H18O2/c1-19-17(15-10-6-3-7-11-15)13-16(18)12-14-8-4-2-5-9-14/h2-11,17H,12-13H2,1H3
InChIKeySSSLWHBHZIIFPZ-UHFFFAOYSA-N
XLogP3.58
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 ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1,4-diphenylbutan-2-one?
The IUPAC name of 4-methoxy-1,4-diphenylbutan-2-one (CID 24881475) is 4-methoxy-1,4-diphenylbutan-2-one.
What is the SMILES notation for 4-methoxy-1,4-diphenylbutan-2-one?
The canonical SMILES for 4-methoxy-1,4-diphenylbutan-2-one is COC(CC(=O)Cc1ccccc1)c1ccccc1.
What is the InChIKey of 4-methoxy-1,4-diphenylbutan-2-one?
The InChIKey is SSSLWHBHZIIFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-19-17(15-10-6-3-7-11-15)13-16(18)12-14-8-4-2-5-9-14/h2-11,17H,12-13H2,1H3.
What are the key properties of 4-methoxy-1,4-diphenylbutan-2-one?
4-methoxy-1,4-diphenylbutan-2-one has a molecular weight of 254.33 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1,4-diphenylbutan-2-one is sourced from PubChem (CID 24881475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).