4-methyl-5-[2-methyl-4-(2-methylpropoxy)phenyl]pentan-2-one

C17H26O2 — CID 83937000

IUPAC4-methyl-5-[2-methyl-4-(2-methylpropoxy)phenyl]pentan-2-one
SMILESCC(=O)CC(C)Cc1ccc(OCC(C)C)cc1C
InChIInChI=1S/C17H26O2/c1-12(2)11-19-17-7-6-16(14(4)10-17)9-13(3)8-15(5)18/h6-7,10,12-13H,8-9,11H2,1-5H3
InChIKeyRTODIQXXSFZXTJ-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.19
Rot. Bonds7

About 4-methyl-5-[2-methyl-4-(2-methylpropoxy)phenyl]pentan-2-one

4-methyl-5-[2-methyl-4-(2-methylpropoxy)phenyl]pentan-2-one (PubChem CID 83937000) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 4-methyl-5-[2-methyl-4-(2-methylpropoxy)phenyl]pentan-2-one.

Molecular Properties

Compound Name4-methyl-5-[2-methyl-4-(2-methylpropoxy)phenyl]pentan-2-one
PubChem CID83937000
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name4-methyl-5-[2-methyl-4-(2-methylpropoxy)phenyl]pentan-2-one
SMILESCC(=O)CC(C)Cc1ccc(OCC(C)C)cc1C
InChIInChI=1S/C17H26O2/c1-12(2)11-19-17-7-6-16(14(4)10-17)9-13(3)8-15(5)18/h6-7,10,12-13H,8-9,11H2,1-5H3
InChIKeyRTODIQXXSFZXTJ-UHFFFAOYSA-N
XLogP4.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-methyl-4-(2-methylpropoxy)phenyl]ethanone
CID 20716286
1,2-dimethyl-4-(2-methylpropoxy)benzene
CID 20812254
2-methyl-3-[1-[2-methyl-4-(2-methylpropoxy)phenyl]propan-2-yl]oxirane
CID 83937057
3-[2-methyl-4-(2-methylpropoxy)phenyl]butanoic acid
CID 83958510
5-(2-bromo-4,5-dimethylphenyl)-4-methylpentan-2-one
CID 83921892
1-[4-(2-methylpropoxy)phenyl]ethanone
CID 2063678
[2-methyl-4-(2-methylpropoxy)phenyl]boronic acid
CID 83140010
5-(2-bromo-4-methylphenyl)-4-methylpentan-2-one
CID 83924454
5-[2-methyl-4-(2-methylpropoxy)phenyl]pentan-2-amine
CID 83937016
1-(3-bromo-2-methylpropyl)-4-methoxy-2-methylbenzene
CID 65316290
[3-methyl-4-(2-methylpropyl)phenyl] propanoate
CID 151861053
5-(2-bromo-5-fluorophenyl)-4-methylpentan-2-one
CID 64720945

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[2-methyl-4-(2-methylpropoxy)phenyl]pentan-2-one?
The IUPAC name of 4-methyl-5-[2-methyl-4-(2-methylpropoxy)phenyl]pentan-2-one (CID 83937000) is 4-methyl-5-[2-methyl-4-(2-methylpropoxy)phenyl]pentan-2-one.
What is the SMILES notation for 4-methyl-5-[2-methyl-4-(2-methylpropoxy)phenyl]pentan-2-one?
The canonical SMILES for 4-methyl-5-[2-methyl-4-(2-methylpropoxy)phenyl]pentan-2-one is CC(=O)CC(C)Cc1ccc(OCC(C)C)cc1C.
What is the InChIKey of 4-methyl-5-[2-methyl-4-(2-methylpropoxy)phenyl]pentan-2-one?
The InChIKey is RTODIQXXSFZXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-12(2)11-19-17-7-6-16(14(4)10-17)9-13(3)8-15(5)18/h6-7,10,12-13H,8-9,11H2,1-5H3.
What are the key properties of 4-methyl-5-[2-methyl-4-(2-methylpropoxy)phenyl]pentan-2-one?
4-methyl-5-[2-methyl-4-(2-methylpropoxy)phenyl]pentan-2-one has a molecular weight of 262.39 g/mol, XLogP of 4.19, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[2-methyl-4-(2-methylpropoxy)phenyl]pentan-2-one is sourced from PubChem (CID 83937000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).