2-(2-methylbutan-2-yloxy)-1-(4-methylphenyl)ethanone

C14H20O2 — CID 43800573

IUPAC2-(2-methylbutan-2-yloxy)-1-(4-methylphenyl)ethanone
SMILESCCC(C)(C)OCC(=O)c1ccc(C)cc1
InChIInChI=1S/C14H20O2/c1-5-14(3,4)16-10-13(15)12-8-6-11(2)7-9-12/h6-9H,5,10H2,1-4H3
InChIKeyNCSOZRDXQWLGAG-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.38
Rot. Bonds5

About 2-(2-methylbutan-2-yloxy)-1-(4-methylphenyl)ethanone

2-(2-methylbutan-2-yloxy)-1-(4-methylphenyl)ethanone (PubChem CID 43800573) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2-(2-methylbutan-2-yloxy)-1-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(2-methylbutan-2-yloxy)-1-(4-methylphenyl)ethanone
PubChem CID43800573
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name2-(2-methylbutan-2-yloxy)-1-(4-methylphenyl)ethanone
SMILESCCC(C)(C)OCC(=O)c1ccc(C)cc1
InChIInChI=1S/C14H20O2/c1-5-14(3,4)16-10-13(15)12-8-6-11(2)7-9-12/h6-9H,5,10H2,1-4H3
InChIKeyNCSOZRDXQWLGAG-UHFFFAOYSA-N
XLogP3.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylphenyl)-2-(2-methylbutan-2-yloxy)ethanone
CID 43800582
1-(3-fluorophenyl)-2-(2-methylbutan-2-yloxy)ethanone
CID 43800565
[2-(4-ethylphenyl)-2-oxoethyl] 4-methylbenzoate
CID 902784
1-(4-tert-butylphenyl)-3-(4-methylphenyl)propane-1,3-dione
CID 3096610
2-heptoxy-1-(4-methylphenyl)ethanone
CID 43800117
ethyl (2R)-2-acetyl-2-methyl-4-(4-methylphenyl)-4-oxobutanoate
CID 138975394
1-(4-methylphenyl)-2-(2,4,6-trimethylphenoxy)ethanone
CID 63566170
2-(4-acetylphenoxy)-1-(4-methylphenyl)ethanone
CID 60625443
2-(2,4-dimethylphenoxy)-1-(4-methylphenyl)ethanone
CID 43411920
tert-butyl 4-(4-methylphenyl)-2,4-dioxobutanoate
CID 116836430
2-(4-fluorophenoxy)-1-(4-methylphenyl)ethanone
CID 14970240
bis[3-(4-methylbenzoyl)pentan-3-yloxy]-oxophosphanium
CID 174749664

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbutan-2-yloxy)-1-(4-methylphenyl)ethanone?
The IUPAC name of 2-(2-methylbutan-2-yloxy)-1-(4-methylphenyl)ethanone (CID 43800573) is 2-(2-methylbutan-2-yloxy)-1-(4-methylphenyl)ethanone.
What is the SMILES notation for 2-(2-methylbutan-2-yloxy)-1-(4-methylphenyl)ethanone?
The canonical SMILES for 2-(2-methylbutan-2-yloxy)-1-(4-methylphenyl)ethanone is CCC(C)(C)OCC(=O)c1ccc(C)cc1.
What is the InChIKey of 2-(2-methylbutan-2-yloxy)-1-(4-methylphenyl)ethanone?
The InChIKey is NCSOZRDXQWLGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-5-14(3,4)16-10-13(15)12-8-6-11(2)7-9-12/h6-9H,5,10H2,1-4H3.
What are the key properties of 2-(2-methylbutan-2-yloxy)-1-(4-methylphenyl)ethanone?
2-(2-methylbutan-2-yloxy)-1-(4-methylphenyl)ethanone has a molecular weight of 220.31 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbutan-2-yloxy)-1-(4-methylphenyl)ethanone is sourced from PubChem (CID 43800573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).