2-(2-butan-2-ylphenoxy)-1-(4-methylphenyl)ethanone

C19H22O2 — CID 43413886

IUPAC2-(2-butan-2-ylphenoxy)-1-(4-methylphenyl)ethanone
SMILESCCC(C)c1ccccc1OCC(=O)c1ccc(C)cc1
InChIInChI=1S/C19H22O2/c1-4-15(3)17-7-5-6-8-19(17)21-13-18(20)16-11-9-14(2)10-12-16/h5-12,15H,4,13H2,1-3H3
InChIKeyRMWJIPBGNXFBOU-UHFFFAOYSA-N
MW282.38 g/mol
LogP4.77
Rot. Bonds6

About 2-(2-butan-2-ylphenoxy)-1-(4-methylphenyl)ethanone

2-(2-butan-2-ylphenoxy)-1-(4-methylphenyl)ethanone (PubChem CID 43413886) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-(2-butan-2-ylphenoxy)-1-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(2-butan-2-ylphenoxy)-1-(4-methylphenyl)ethanone
PubChem CID43413886
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name2-(2-butan-2-ylphenoxy)-1-(4-methylphenyl)ethanone
SMILESCCC(C)c1ccccc1OCC(=O)c1ccc(C)cc1
InChIInChI=1S/C19H22O2/c1-4-15(3)17-7-5-6-8-19(17)21-13-18(20)16-11-9-14(2)10-12-16/h5-12,15H,4,13H2,1-3H3
InChIKeyRMWJIPBGNXFBOU-UHFFFAOYSA-N
XLogP4.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[(2S)-butan-2-yl]phenoxy]-N-(4-methylphenyl)acetamide
CID 833563
2-[2-[(2R)-butan-2-yl]phenoxy]-N-(4-methylphenyl)acetamide
CID 833562
2-(2-butan-2-ylphenoxy)-1-(2-chlorophenyl)ethanone
CID 43413875
1-phenyl-2-(2-propan-2-ylphenoxy)ethanone
CID 43413868
ethyl 4-(2-butan-2-ylphenoxy)-3-oxobutanoate
CID 60644082
2-[2-[(2S)-butan-2-yl]phenoxy]-N-(2,4-dimethylphenyl)acetamide
CID 25400217
ethyl 5-(2-butan-2-ylphenoxy)-4-oxopentanoate
CID 103484893
2-[[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]amino]-5-methylbenzoic acid
CID 839384
2-[[2-(2-butan-2-ylphenoxy)acetyl]amino]-5-methylbenzoic acid
CID 2914637
2-[[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]amino]-5-methylbenzoate
CID 6949018
2-[[2-(2-butan-2-ylphenoxy)acetyl]amino]propanediamide
CID 56807746
N-(2-aminoethyl)-2-(2-butan-2-ylphenoxy)acetamide
CID 61207891

Frequently Asked Questions

What is the IUPAC name of 2-(2-butan-2-ylphenoxy)-1-(4-methylphenyl)ethanone?
The IUPAC name of 2-(2-butan-2-ylphenoxy)-1-(4-methylphenyl)ethanone (CID 43413886) is 2-(2-butan-2-ylphenoxy)-1-(4-methylphenyl)ethanone.
What is the SMILES notation for 2-(2-butan-2-ylphenoxy)-1-(4-methylphenyl)ethanone?
The canonical SMILES for 2-(2-butan-2-ylphenoxy)-1-(4-methylphenyl)ethanone is CCC(C)c1ccccc1OCC(=O)c1ccc(C)cc1.
What is the InChIKey of 2-(2-butan-2-ylphenoxy)-1-(4-methylphenyl)ethanone?
The InChIKey is RMWJIPBGNXFBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-4-15(3)17-7-5-6-8-19(17)21-13-18(20)16-11-9-14(2)10-12-16/h5-12,15H,4,13H2,1-3H3.
What are the key properties of 2-(2-butan-2-ylphenoxy)-1-(4-methylphenyl)ethanone?
2-(2-butan-2-ylphenoxy)-1-(4-methylphenyl)ethanone has a molecular weight of 282.38 g/mol, XLogP of 4.77, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butan-2-ylphenoxy)-1-(4-methylphenyl)ethanone is sourced from PubChem (CID 43413886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).