4,4-dimethyl-7-phenylheptane-2,5-dione

C15H20O2 — CID 166439938

IUPAC4,4-dimethyl-7-phenylheptane-2,5-dione
SMILESCC(=O)CC(C)(C)C(=O)CCc1ccccc1
InChIInChI=1S/C15H20O2/c1-12(16)11-15(2,3)14(17)10-9-13-7-5-4-6-8-13/h4-8H,9-11H2,1-3H3
InChIKeyOUWPMWCWBATAIU-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.19
Rot. Bonds6

About 4,4-dimethyl-7-phenylheptane-2,5-dione

4,4-dimethyl-7-phenylheptane-2,5-dione (PubChem CID 166439938) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 4,4-dimethyl-7-phenylheptane-2,5-dione.

Molecular Properties

Compound Name4,4-dimethyl-7-phenylheptane-2,5-dione
PubChem CID166439938
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name4,4-dimethyl-7-phenylheptane-2,5-dione
SMILESCC(=O)CC(C)(C)C(=O)CCc1ccccc1
InChIInChI=1S/C15H20O2/c1-12(16)11-15(2,3)14(17)10-9-13-7-5-4-6-8-13/h4-8H,9-11H2,1-3H3
InChIKeyOUWPMWCWBATAIU-UHFFFAOYSA-N
XLogP3.19
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,1,4-tetraphenylbutan-2-one
CID 140502086
4-hydroxy-4-methyl-6-phenylhexan-2-one
CID 101034765
2-hydroxy-4-oxo-2-(2-phenylethyl)pentanoic acid
CID 22937872
phenol;4-phenylbutan-2-one
CID 160537429
5-phenylpentan-2-one
CID 16701
4-phenylbutan-2-one;prop-1-ene
CID 166128425
4-hydroxy-4-methyl-5-phenylpentan-2-one
CID 121010182
5-hydroxy-1,5-diphenylhexan-3-one
CID 46888754
2,2-dimethyl-7-phenylheptan-3-one
CID 13371233
1-(4-tert-butylphenyl)-5-phenylpentan-3-one
CID 71658450
ethyl 2,2-difluoro-3-oxo-5-phenylpentanoate
CID 11436773
2,2-dimethyl-4-phenylbutanoyl chloride
CID 121009879

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-7-phenylheptane-2,5-dione?
The IUPAC name of 4,4-dimethyl-7-phenylheptane-2,5-dione (CID 166439938) is 4,4-dimethyl-7-phenylheptane-2,5-dione.
What is the SMILES notation for 4,4-dimethyl-7-phenylheptane-2,5-dione?
The canonical SMILES for 4,4-dimethyl-7-phenylheptane-2,5-dione is CC(=O)CC(C)(C)C(=O)CCc1ccccc1.
What is the InChIKey of 4,4-dimethyl-7-phenylheptane-2,5-dione?
The InChIKey is OUWPMWCWBATAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-12(16)11-15(2,3)14(17)10-9-13-7-5-4-6-8-13/h4-8H,9-11H2,1-3H3.
What are the key properties of 4,4-dimethyl-7-phenylheptane-2,5-dione?
4,4-dimethyl-7-phenylheptane-2,5-dione has a molecular weight of 232.32 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-7-phenylheptane-2,5-dione is sourced from PubChem (CID 166439938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).