1-[2,4-dimethyl-6-[(2-methylpropan-2-yl)oxy]phenyl]-2,2-dimethylpropan-1-one

C17H26O2 — CID 21060132

IUPAC1-[2,4-dimethyl-6-[(2-methylpropan-2-yl)oxy]phenyl]-2,2-dimethylpropan-1-one
SMILESCc1cc(C)c(C(=O)C(C)(C)C)c(OC(C)(C)C)c1
InChIInChI=1S/C17H26O2/c1-11-9-12(2)14(15(18)16(3,4)5)13(10-11)19-17(6,7)8/h9-10H,1-8H3
InChIKeyYRRKURVQFWERJQ-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.71
Rot. Bonds2

About 1-[2,4-dimethyl-6-[(2-methylpropan-2-yl)oxy]phenyl]-2,2-dimethylpropan-1-one

1-[2,4-dimethyl-6-[(2-methylpropan-2-yl)oxy]phenyl]-2,2-dimethylpropan-1-one (PubChem CID 21060132) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 1-[2,4-dimethyl-6-[(2-methylpropan-2-yl)oxy]phenyl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[2,4-dimethyl-6-[(2-methylpropan-2-yl)oxy]phenyl]-2,2-dimethylpropan-1-one
PubChem CID21060132
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name1-[2,4-dimethyl-6-[(2-methylpropan-2-yl)oxy]phenyl]-2,2-dimethylpropan-1-one
SMILESCc1cc(C)c(C(=O)C(C)(C)C)c(OC(C)(C)C)c1
InChIInChI=1S/C17H26O2/c1-11-9-12(2)14(15(18)16(3,4)5)13(10-11)19-17(6,7)8/h9-10H,1-8H3
InChIKeyYRRKURVQFWERJQ-UHFFFAOYSA-N
XLogP4.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(2-methoxy-4,6-dimethylphenyl)-2,2,3-trimethylbutan-1-one
CID 106681729
[4-[(2-methylpropan-2-yl)oxy]phenyl]-(2,4,6-trimethylphenyl)methanone
CID 141016400
2,2-dimethyl-1-[2,4,5-tris[(2-methylpropan-2-yl)oxy]phenyl]propan-1-one
CID 155206948
1-(2-methoxy-4,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 106681968
[(2-methylpropan-2-yl)oxy-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 125497314
2,2-dimethyl-1-(2,4,6-trimethyl-3-pyridinyl)propan-1-one
CID 58945173
tert-butyl 2-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]sulfanylacetate
CID 116687390
tert-butyl 2-amino-4-oxo-4-(2,4,6-trimethylphenyl)butanoate
CID 83224637
tert-butyl 2-(diaminomethylideneamino)-3-oxo-2-phosphanyl-3-(2,4,6-trimethylphenyl)propanoate
CID 174680890
2,2-difluoro-1-(2-fluoro-4,6-dimethylphenyl)propan-1-one
CID 130665453
2-hydroperoxy-2-methyl-1-(2,4,6-trimethylphenyl)pentane-1,3-dione
CID 10849217
2-ethoxy-4,6-dimethylbenzoic acid
CID 22956565

Frequently Asked Questions

What is the IUPAC name of 1-[2,4-dimethyl-6-[(2-methylpropan-2-yl)oxy]phenyl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[2,4-dimethyl-6-[(2-methylpropan-2-yl)oxy]phenyl]-2,2-dimethylpropan-1-one (CID 21060132) is 1-[2,4-dimethyl-6-[(2-methylpropan-2-yl)oxy]phenyl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[2,4-dimethyl-6-[(2-methylpropan-2-yl)oxy]phenyl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[2,4-dimethyl-6-[(2-methylpropan-2-yl)oxy]phenyl]-2,2-dimethylpropan-1-one is Cc1cc(C)c(C(=O)C(C)(C)C)c(OC(C)(C)C)c1.
What is the InChIKey of 1-[2,4-dimethyl-6-[(2-methylpropan-2-yl)oxy]phenyl]-2,2-dimethylpropan-1-one?
The InChIKey is YRRKURVQFWERJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-11-9-12(2)14(15(18)16(3,4)5)13(10-11)19-17(6,7)8/h9-10H,1-8H3.
What are the key properties of 1-[2,4-dimethyl-6-[(2-methylpropan-2-yl)oxy]phenyl]-2,2-dimethylpropan-1-one?
1-[2,4-dimethyl-6-[(2-methylpropan-2-yl)oxy]phenyl]-2,2-dimethylpropan-1-one has a molecular weight of 262.39 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-dimethyl-6-[(2-methylpropan-2-yl)oxy]phenyl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 21060132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).