13-phenyltridecane-2,4-dione

C19H28O2 — CID 19792481

IUPAC13-phenyltridecane-2,4-dione
SMILESCC(=O)CC(=O)CCCCCCCCCc1ccccc1
InChIInChI=1S/C19H28O2/c1-17(20)16-19(21)15-11-6-4-2-3-5-8-12-18-13-9-7-10-14-18/h7,9-10,13-14H,2-6,8,11-12,15-16H2,1H3
InChIKeyMZVNIDLVPWTBKS-UHFFFAOYSA-N
MW288.43 g/mol
LogP4.90
Rot. Bonds12

About 13-phenyltridecane-2,4-dione

13-phenyltridecane-2,4-dione (PubChem CID 19792481) has the molecular formula C19H28O2 and a molecular weight of 288.43 g/mol. Its IUPAC name is 13-phenyltridecane-2,4-dione.

Molecular Properties

Compound Name13-phenyltridecane-2,4-dione
PubChem CID19792481
Molecular FormulaC19H28O2
Molecular Weight288.43 g/mol
Exact Mass288.21
IUPAC Name13-phenyltridecane-2,4-dione
SMILESCC(=O)CC(=O)CCCCCCCCCc1ccccc1
InChIInChI=1S/C19H28O2/c1-17(20)16-19(21)15-11-6-4-2-3-5-8-12-18-13-9-7-10-14-18/h7,9-10,13-14H,2-6,8,11-12,15-16H2,1H3
InChIKeyMZVNIDLVPWTBKS-UHFFFAOYSA-N
XLogP4.90
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1,9-diphenylnonan-5-one
CID 23467830
5-phenylpentan-2-one
CID 16701
15-phenylpentadecanoic acid
CID 2737151
N-methyl-9-phenylnonanamide
CID 118028570
methyl 3-oxo-6-phenylhexanoate
CID 12701554
16-phenyl-1-(trifluoromethoxy)hexadecan-2-one
CID 70498618
(3-oxo-7-phenylheptyl) acetate
CID 175000203
1-phenyldecane-2,9-dione
CID 146832793
N-ethyl-6-phenylhexanamide
CID 70953257
N-hydroxy-6-phenylhexanamide;thiohydroxylamine
CID 142086803
1-phenylnonane-3,5-dione
CID 14763643
2-methyl-9-phenylnonan-3-one
CID 58366233

Frequently Asked Questions

What is the IUPAC name of 13-phenyltridecane-2,4-dione?
The IUPAC name of 13-phenyltridecane-2,4-dione (CID 19792481) is 13-phenyltridecane-2,4-dione.
What is the SMILES notation for 13-phenyltridecane-2,4-dione?
The canonical SMILES for 13-phenyltridecane-2,4-dione is CC(=O)CC(=O)CCCCCCCCCc1ccccc1.
What is the InChIKey of 13-phenyltridecane-2,4-dione?
The InChIKey is MZVNIDLVPWTBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O2/c1-17(20)16-19(21)15-11-6-4-2-3-5-8-12-18-13-9-7-10-14-18/h7,9-10,13-14H,2-6,8,11-12,15-16H2,1H3.
What are the key properties of 13-phenyltridecane-2,4-dione?
13-phenyltridecane-2,4-dione has a molecular weight of 288.43 g/mol, XLogP of 4.90, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 13-phenyltridecane-2,4-dione is sourced from PubChem (CID 19792481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).