1-phenyldecane-2,9-dione

C16H22O2 — CID 146832793

IUPAC1-phenyldecane-2,9-dione
SMILESCC(=O)CCCCCCC(=O)Cc1ccccc1
InChIInChI=1S/C16H22O2/c1-14(17)9-5-2-3-8-12-16(18)13-15-10-6-4-7-11-15/h4,6-7,10-11H,2-3,5,8-9,12-13H2,1H3
InChIKeySENHQIIUOXCEIO-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.73
Rot. Bonds9

About 1-phenyldecane-2,9-dione

1-phenyldecane-2,9-dione (PubChem CID 146832793) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-phenyldecane-2,9-dione.

Molecular Properties

Compound Name1-phenyldecane-2,9-dione
PubChem CID146832793
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name1-phenyldecane-2,9-dione
SMILESCC(=O)CCCCCCC(=O)Cc1ccccc1
InChIInChI=1S/C16H22O2/c1-14(17)9-5-2-3-8-12-16(18)13-15-10-6-4-7-11-15/h4,6-7,10-11H,2-3,5,8-9,12-13H2,1H3
InChIKeySENHQIIUOXCEIO-UHFFFAOYSA-N
XLogP3.73
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.73
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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CID 10035428
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CID 12920609
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6-amino-1-phenylhexan-2-one
CID 57063081
5-phenylpentan-2-one
CID 16701
benzyl 10-oxo-11-phenylundecanoate
CID 170190928
(2,3,4,5,6-pentafluorophenyl) 6-oxo-7-phenylheptanoate
CID 138517790
ethane;2-(6-oxo-7-phenylheptyl)guanidine
CID 142891810
benzene;1-phenylpropan-2-one
CID 21430852
13-phenyltridecane-2,4-dione
CID 19792481
1,3-diphenyl(213C)propan-2-one
CID 100945080
ethane;1-hydroxy-3-phenylpropan-2-one
CID 91537381

Frequently Asked Questions

What is the IUPAC name of 1-phenyldecane-2,9-dione?
The IUPAC name of 1-phenyldecane-2,9-dione (CID 146832793) is 1-phenyldecane-2,9-dione.
What is the SMILES notation for 1-phenyldecane-2,9-dione?
The canonical SMILES for 1-phenyldecane-2,9-dione is CC(=O)CCCCCCC(=O)Cc1ccccc1.
What is the InChIKey of 1-phenyldecane-2,9-dione?
The InChIKey is SENHQIIUOXCEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-14(17)9-5-2-3-8-12-16(18)13-15-10-6-4-7-11-15/h4,6-7,10-11H,2-3,5,8-9,12-13H2,1H3.
What are the key properties of 1-phenyldecane-2,9-dione?
1-phenyldecane-2,9-dione has a molecular weight of 246.35 g/mol, XLogP of 3.73, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyldecane-2,9-dione is sourced from PubChem (CID 146832793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).