1,15-diphenylpentadecane-1,15-dione

C27H36O2 — CID 159981687

IUPAC1,15-diphenylpentadecane-1,15-dione
SMILESO=C(CCCCCCCCCCCCCC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C27H36O2/c28-26(24-18-12-10-13-19-24)22-16-8-6-4-2-1-3-5-7-9-17-23-27(29)25-20-14-11-15-21-25/h10-15,18-21H,1-9,16-17,22-23H2
InChIKeyOFVSRGZZZUMCMQ-UHFFFAOYSA-N
MW392.58 g/mol
LogP7.82
Rot. Bonds16

About 1,15-diphenylpentadecane-1,15-dione

1,15-diphenylpentadecane-1,15-dione (PubChem CID 159981687) has the molecular formula C27H36O2 and a molecular weight of 392.58 g/mol. Its IUPAC name is 1,15-diphenylpentadecane-1,15-dione.

Molecular Properties

Compound Name1,15-diphenylpentadecane-1,15-dione
PubChem CID159981687
Molecular FormulaC27H36O2
Molecular Weight392.58 g/mol
Exact Mass392.27
IUPAC Name1,15-diphenylpentadecane-1,15-dione
SMILESO=C(CCCCCCCCCCCCCC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C27H36O2/c28-26(24-18-12-10-13-19-24)22-16-8-6-4-2-1-3-5-7-9-17-23-27(29)25-20-14-11-15-21-25/h10-15,18-21H,1-9,16-17,22-23H2
InChIKeyOFVSRGZZZUMCMQ-UHFFFAOYSA-N
XLogP7.82
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.58
LogP ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1-phenylheptadecan-1-one
CID 577626
1-phenylheptane-1,6-dione
CID 11333176
1,8-diphenyloctane-1,3,8-trione
CID 140639735
18-methyl-1-phenylnonadecan-1-one
CID 141198244
amino 9-oxo-9-phenylnonanoate
CID 174840256
N,N-dimethyl-8-oxo-8-phenyloctanamide
CID 58982119
5-oxo-5-phenylpentanamide
CID 3787245
17-(dimethylamino)-1-phenylheptadecan-1-one;hydrobromide
CID 175178049
bis[(13-oxo-13-phenyltridecanoyl)oxy]alumanyl 13-oxo-13-phenyltridecanoate
CID 140673625

Frequently Asked Questions

What is the IUPAC name of 1,15-diphenylpentadecane-1,15-dione?
The IUPAC name of 1,15-diphenylpentadecane-1,15-dione (CID 159981687) is 1,15-diphenylpentadecane-1,15-dione.
What is the SMILES notation for 1,15-diphenylpentadecane-1,15-dione?
The canonical SMILES for 1,15-diphenylpentadecane-1,15-dione is O=C(CCCCCCCCCCCCCC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 1,15-diphenylpentadecane-1,15-dione?
The InChIKey is OFVSRGZZZUMCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36O2/c28-26(24-18-12-10-13-19-24)22-16-8-6-4-2-1-3-5-7-9-17-23-27(29)25-20-14-11-15-21-25/h10-15,18-21H,1-9,16-17,22-23H2.
What are the key properties of 1,15-diphenylpentadecane-1,15-dione?
1,15-diphenylpentadecane-1,15-dione has a molecular weight of 392.58 g/mol, XLogP of 7.82, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,15-diphenylpentadecane-1,15-dione is sourced from PubChem (CID 159981687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).