2-(2-methylphenoxy)-1-(4-propan-2-ylphenyl)ethanone

C18H20O2 — CID 43413186

IUPAC2-(2-methylphenoxy)-1-(4-propan-2-ylphenyl)ethanone
SMILESCc1ccccc1OCC(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C18H20O2/c1-13(2)15-8-10-16(11-9-15)17(19)12-20-18-7-5-4-6-14(18)3/h4-11,13H,12H2,1-3H3
InChIKeyNDHLVGGVXSWXFO-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.38
Rot. Bonds5

About 2-(2-methylphenoxy)-1-(4-propan-2-ylphenyl)ethanone

2-(2-methylphenoxy)-1-(4-propan-2-ylphenyl)ethanone (PubChem CID 43413186) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-1-(4-propan-2-ylphenyl)ethanone.

Molecular Properties

Compound Name2-(2-methylphenoxy)-1-(4-propan-2-ylphenyl)ethanone
PubChem CID43413186
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name2-(2-methylphenoxy)-1-(4-propan-2-ylphenyl)ethanone
SMILESCc1ccccc1OCC(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C18H20O2/c1-13(2)15-8-10-16(11-9-15)17(19)12-20-18-7-5-4-6-14(18)3/h4-11,13H,12H2,1-3H3
InChIKeyNDHLVGGVXSWXFO-UHFFFAOYSA-N
XLogP4.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluoro-3-methylphenoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 107659414
2-(2-hydroxyphenoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 118408210
2-(2-ethylphenoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 43412435
1-(4-iodophenyl)-2-(2-methylphenoxy)ethanone
CID 43218793
2-(2-methylphenoxy)-1-[4-(trifluoromethyl)phenyl]ethanone
CID 139247581
1-phenyl-2-(2-propan-2-ylphenoxy)ethanone
CID 43413868
2-(2-methylphenoxy)-1-(1-methylpyrrol-3-yl)ethanone
CID 43413142
N'-[2-(2-methylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide
CID 4953840
1-(3-aminophenyl)-2-(2-methylphenoxy)ethanone
CID 82117522
2-(2,3-dimethylphenoxy)-1-(4-fluorophenyl)ethanone
CID 2179596
4-(2-methylphenoxy)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]butan-1-one
CID 108569182
potassium 1-phenyl-3-(4-propan-2-ylphenyl)propane-1,3-dione
CID 56948149

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-1-(4-propan-2-ylphenyl)ethanone?
The IUPAC name of 2-(2-methylphenoxy)-1-(4-propan-2-ylphenyl)ethanone (CID 43413186) is 2-(2-methylphenoxy)-1-(4-propan-2-ylphenyl)ethanone.
What is the SMILES notation for 2-(2-methylphenoxy)-1-(4-propan-2-ylphenyl)ethanone?
The canonical SMILES for 2-(2-methylphenoxy)-1-(4-propan-2-ylphenyl)ethanone is Cc1ccccc1OCC(=O)c1ccc(C(C)C)cc1.
What is the InChIKey of 2-(2-methylphenoxy)-1-(4-propan-2-ylphenyl)ethanone?
The InChIKey is NDHLVGGVXSWXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-13(2)15-8-10-16(11-9-15)17(19)12-20-18-7-5-4-6-14(18)3/h4-11,13H,12H2,1-3H3.
What are the key properties of 2-(2-methylphenoxy)-1-(4-propan-2-ylphenyl)ethanone?
2-(2-methylphenoxy)-1-(4-propan-2-ylphenyl)ethanone has a molecular weight of 268.36 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-1-(4-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 43413186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).