4-methoxy-1,5-diphenylpentan-2-one

C18H20O2 — CID 15270463

IUPAC4-methoxy-1,5-diphenylpentan-2-one
SMILESCOC(CC(=O)Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H20O2/c1-20-18(13-16-10-6-3-7-11-16)14-17(19)12-15-8-4-2-5-9-15/h2-11,18H,12-14H2,1H3
InChIKeyJTMQGNPIGZVTCC-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.45
Rot. Bonds7

About 4-methoxy-1,5-diphenylpentan-2-one

4-methoxy-1,5-diphenylpentan-2-one (PubChem CID 15270463) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-methoxy-1,5-diphenylpentan-2-one.

Molecular Properties

Compound Name4-methoxy-1,5-diphenylpentan-2-one
PubChem CID15270463
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name4-methoxy-1,5-diphenylpentan-2-one
SMILESCOC(CC(=O)Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H20O2/c1-20-18(13-16-10-6-3-7-11-16)14-17(19)12-15-8-4-2-5-9-15/h2-11,18H,12-14H2,1H3
InChIKeyJTMQGNPIGZVTCC-UHFFFAOYSA-N
XLogP3.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1,5-diphenylpentan-2-one?
The IUPAC name of 4-methoxy-1,5-diphenylpentan-2-one (CID 15270463) is 4-methoxy-1,5-diphenylpentan-2-one.
What is the SMILES notation for 4-methoxy-1,5-diphenylpentan-2-one?
The canonical SMILES for 4-methoxy-1,5-diphenylpentan-2-one is COC(CC(=O)Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 4-methoxy-1,5-diphenylpentan-2-one?
The InChIKey is JTMQGNPIGZVTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-20-18(13-16-10-6-3-7-11-16)14-17(19)12-15-8-4-2-5-9-15/h2-11,18H,12-14H2,1H3.
What are the key properties of 4-methoxy-1,5-diphenylpentan-2-one?
4-methoxy-1,5-diphenylpentan-2-one has a molecular weight of 268.36 g/mol, XLogP of 3.45, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1,5-diphenylpentan-2-one is sourced from PubChem (CID 15270463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).