1-phenyl-2-(2-propan-2-ylphenoxy)ethanone

C17H18O2 — CID 43413868

IUPAC1-phenyl-2-(2-propan-2-ylphenoxy)ethanone
SMILESCC(C)c1ccccc1OCC(=O)c1ccccc1
InChIInChI=1S/C17H18O2/c1-13(2)15-10-6-7-11-17(15)19-12-16(18)14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3
InChIKeyKMMBTQXAOOEOAJ-UHFFFAOYSA-N
MW254.33 g/mol
LogP4.07
Rot. Bonds5

About 1-phenyl-2-(2-propan-2-ylphenoxy)ethanone

1-phenyl-2-(2-propan-2-ylphenoxy)ethanone (PubChem CID 43413868) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-phenyl-2-(2-propan-2-ylphenoxy)ethanone.

Molecular Properties

Compound Name1-phenyl-2-(2-propan-2-ylphenoxy)ethanone
PubChem CID43413868
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name1-phenyl-2-(2-propan-2-ylphenoxy)ethanone
SMILESCC(C)c1ccccc1OCC(=O)c1ccccc1
InChIInChI=1S/C17H18O2/c1-13(2)15-10-6-7-11-17(15)19-12-16(18)14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3
InChIKeyKMMBTQXAOOEOAJ-UHFFFAOYSA-N
XLogP4.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 922574
1-(2-fluorophenyl)-2-(2-propan-2-ylphenoxy)ethanone
CID 43413870
1-phenyl-3-(2-propan-2-ylphenoxy)propan-2-one
CID 43799955
2-(2-butan-2-ylphenoxy)-1-(4-methylphenyl)ethanone
CID 43413886
1-(4-benzoylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)ethanone
CID 18112391
N-propan-2-yl-2-(2-propan-2-ylphenoxy)acetamide
CID 19168088
2,2-dimethyl-3-(2-propan-2-ylphenoxy)propanoic acid
CID 20986649
1-(5-chlorothiophen-2-yl)-2-(2-propan-2-ylphenoxy)ethanone
CID 43413871
1-(2,4-dihydroxyphenyl)-2-(2-propan-2-ylphenoxy)ethanone
CID 724519
(2-benzamido-2-oxoethyl) 2-(2-propan-2-ylphenoxy)acetate
CID 7903758
(2-phenacyloxyphenyl) acetate
CID 2303836
2-(2-hydroxyphenoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 118408210

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(2-propan-2-ylphenoxy)ethanone?
The IUPAC name of 1-phenyl-2-(2-propan-2-ylphenoxy)ethanone (CID 43413868) is 1-phenyl-2-(2-propan-2-ylphenoxy)ethanone.
What is the SMILES notation for 1-phenyl-2-(2-propan-2-ylphenoxy)ethanone?
The canonical SMILES for 1-phenyl-2-(2-propan-2-ylphenoxy)ethanone is CC(C)c1ccccc1OCC(=O)c1ccccc1.
What is the InChIKey of 1-phenyl-2-(2-propan-2-ylphenoxy)ethanone?
The InChIKey is KMMBTQXAOOEOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-13(2)15-10-6-7-11-17(15)19-12-16(18)14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3.
What are the key properties of 1-phenyl-2-(2-propan-2-ylphenoxy)ethanone?
1-phenyl-2-(2-propan-2-ylphenoxy)ethanone has a molecular weight of 254.33 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(2-propan-2-ylphenoxy)ethanone is sourced from PubChem (CID 43413868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).