1,9-diphenylnonan-5-one

C21H26O — CID 23467830

IUPAC1,9-diphenylnonan-5-one
SMILESO=C(CCCCc1ccccc1)CCCCc1ccccc1
InChIInChI=1S/C21H26O/c22-21(17-9-7-15-19-11-3-1-4-12-19)18-10-8-16-20-13-5-2-6-14-20/h1-6,11-14H,7-10,15-18H2
InChIKeyJIAMHGYWJYSVIM-UHFFFAOYSA-N
MW294.44 g/mol
LogP5.38
Rot. Bonds10

About 1,9-diphenylnonan-5-one

1,9-diphenylnonan-5-one (PubChem CID 23467830) has the molecular formula C21H26O and a molecular weight of 294.44 g/mol. Its IUPAC name is 1,9-diphenylnonan-5-one.

Molecular Properties

Compound Name1,9-diphenylnonan-5-one
PubChem CID23467830
Molecular FormulaC21H26O
Molecular Weight294.44 g/mol
Exact Mass294.20
IUPAC Name1,9-diphenylnonan-5-one
SMILESO=C(CCCCc1ccccc1)CCCCc1ccccc1
InChIInChI=1S/C21H26O/c22-21(17-9-7-15-19-11-3-1-4-12-19)18-10-8-16-20-13-5-2-6-14-20/h1-6,11-14H,7-10,15-18H2
InChIKeyJIAMHGYWJYSVIM-UHFFFAOYSA-N
XLogP5.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.44
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

8-amino-1-phenyloctan-4-one
CID 116571907
15-phenylpentadecanoic acid
CID 2737151
13-phenyltridecane-2,4-dione
CID 19792481
(3-oxo-7-phenylheptyl) acetate
CID 175000203
7-chloro-1-phenylheptan-3-one
CID 57471587
6-oxo-9-phenylnonanenitrile
CID 12034522
1-(1,3-dioxolan-2-yl)-7-phenylheptan-3-one
CID 163679114
4-phenylbutylbenzene
CID 141301927
potassium 15-phenylpentadecanoate
CID 23717018
sodium;hydride;15-phenylpentadecanoic acid;selane
CID 174846933
sodium;hydride;12-phenyldodecanoic acid;selane
CID 174847736
1-phenyl-11-propan-2-ylsulfonylundecan-6-one
CID 58144246

Frequently Asked Questions

What is the IUPAC name of 1,9-diphenylnonan-5-one?
The IUPAC name of 1,9-diphenylnonan-5-one (CID 23467830) is 1,9-diphenylnonan-5-one.
What is the SMILES notation for 1,9-diphenylnonan-5-one?
The canonical SMILES for 1,9-diphenylnonan-5-one is O=C(CCCCc1ccccc1)CCCCc1ccccc1.
What is the InChIKey of 1,9-diphenylnonan-5-one?
The InChIKey is JIAMHGYWJYSVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O/c22-21(17-9-7-15-19-11-3-1-4-12-19)18-10-8-16-20-13-5-2-6-14-20/h1-6,11-14H,7-10,15-18H2.
What are the key properties of 1,9-diphenylnonan-5-one?
1,9-diphenylnonan-5-one has a molecular weight of 294.44 g/mol, XLogP of 5.38, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-diphenylnonan-5-one is sourced from PubChem (CID 23467830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).