1,1-diphenylpentan-3-one

C17H18O — CID 4189914

IUPAC1,1-diphenylpentan-3-one
SMILESCCC(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H18O/c1-2-16(18)13-17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,17H,2,13H2,1H3
InChIKeyDNVZUJFPAUGQDA-UHFFFAOYSA-N
MW238.33 g/mol
LogP4.19
Rot. Bonds5

About 1,1-diphenylpentan-3-one

1,1-diphenylpentan-3-one (PubChem CID 4189914) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1,1-diphenylpentan-3-one.

Molecular Properties

Compound Name1,1-diphenylpentan-3-one
PubChem CID4189914
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Name1,1-diphenylpentan-3-one
SMILESCCC(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H18O/c1-2-16(18)13-17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,17H,2,13H2,1H3
InChIKeyDNVZUJFPAUGQDA-UHFFFAOYSA-N
XLogP4.19
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1-diphenylpentan-3-one?
The IUPAC name of 1,1-diphenylpentan-3-one (CID 4189914) is 1,1-diphenylpentan-3-one.
What is the SMILES notation for 1,1-diphenylpentan-3-one?
The canonical SMILES for 1,1-diphenylpentan-3-one is CCC(=O)CC(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,1-diphenylpentan-3-one?
The InChIKey is DNVZUJFPAUGQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O/c1-2-16(18)13-17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,17H,2,13H2,1H3.
What are the key properties of 1,1-diphenylpentan-3-one?
1,1-diphenylpentan-3-one has a molecular weight of 238.33 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenylpentan-3-one is sourced from PubChem (CID 4189914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).