4-methyl-1-(4-propan-2-ylphenyl)pentan-1-one

C15H22O — CID 43625084

IUPAC4-methyl-1-(4-propan-2-ylphenyl)pentan-1-one
SMILESCC(C)CCC(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C15H22O/c1-11(2)5-10-15(16)14-8-6-13(7-9-14)12(3)4/h6-9,11-12H,5,10H2,1-4H3
InChIKeyDMMLOJFRAOTSKZ-UHFFFAOYSA-N
MW218.34 g/mol
LogP4.43
Rot. Bonds5

About 4-methyl-1-(4-propan-2-ylphenyl)pentan-1-one

4-methyl-1-(4-propan-2-ylphenyl)pentan-1-one (PubChem CID 43625084) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 4-methyl-1-(4-propan-2-ylphenyl)pentan-1-one.

Molecular Properties

Compound Name4-methyl-1-(4-propan-2-ylphenyl)pentan-1-one
PubChem CID43625084
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name4-methyl-1-(4-propan-2-ylphenyl)pentan-1-one
SMILESCC(C)CCC(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C15H22O/c1-11(2)5-10-15(16)14-8-6-13(7-9-14)12(3)4/h6-9,11-12H,5,10H2,1-4H3
InChIKeyDMMLOJFRAOTSKZ-UHFFFAOYSA-N
XLogP4.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,4-bis(4-propan-2-ylphenyl)butane-1,4-dione
CID 166515280
1,5-bis(4-propan-2-ylphenyl)pentane-1,5-dione
CID 23512927
4,4,4-trifluoro-1-(4-propan-2-ylphenyl)butan-1-one
CID 64565089
6-oxo-6-(4-propan-2-ylphenyl)hexanamide
CID 174637388
2-(3-methylbutoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 43798558
6-amino-4-ethyl-1-(4-propan-2-ylphenyl)hexan-1-one
CID 116578308
5-oxo-5-(4-propan-2-ylphenyl)pentanoate
CID 7022366
potassium 1-phenyl-3-(4-propan-2-ylphenyl)propane-1,3-dione
CID 56948149
1-(4-propan-2-ylphenyl)hexane-1,3-dione
CID 61393311
2-(2-methylpropylsulfanyl)-1-(4-propan-2-ylphenyl)ethanone
CID 43412801
1-[4-(N-(4-pentanoylphenyl)-4-propan-2-ylanilino)phenyl]pentan-1-one
CID 118530705
3-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)propan-1-one
CID 43625070

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(4-propan-2-ylphenyl)pentan-1-one?
The IUPAC name of 4-methyl-1-(4-propan-2-ylphenyl)pentan-1-one (CID 43625084) is 4-methyl-1-(4-propan-2-ylphenyl)pentan-1-one.
What is the SMILES notation for 4-methyl-1-(4-propan-2-ylphenyl)pentan-1-one?
The canonical SMILES for 4-methyl-1-(4-propan-2-ylphenyl)pentan-1-one is CC(C)CCC(=O)c1ccc(C(C)C)cc1.
What is the InChIKey of 4-methyl-1-(4-propan-2-ylphenyl)pentan-1-one?
The InChIKey is DMMLOJFRAOTSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-11(2)5-10-15(16)14-8-6-13(7-9-14)12(3)4/h6-9,11-12H,5,10H2,1-4H3.
What are the key properties of 4-methyl-1-(4-propan-2-ylphenyl)pentan-1-one?
4-methyl-1-(4-propan-2-ylphenyl)pentan-1-one has a molecular weight of 218.34 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(4-propan-2-ylphenyl)pentan-1-one is sourced from PubChem (CID 43625084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).