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

C17H18O3 — CID 118408210

IUPAC2-(2-hydroxyphenoxy)-1-(4-propan-2-ylphenyl)ethanone
SMILESCC(C)c1ccc(C(=O)COc2ccccc2O)cc1
InChIInChI=1S/C17H18O3/c1-12(2)13-7-9-14(10-8-13)16(19)11-20-17-6-4-3-5-15(17)18/h3-10,12,18H,11H2,1-2H3
InChIKeyCTTLTFNUKPOHIF-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.78
Rot. Bonds5

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

2-(2-hydroxyphenoxy)-1-(4-propan-2-ylphenyl)ethanone (PubChem CID 118408210) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-(2-hydroxyphenoxy)-1-(4-propan-2-ylphenyl)ethanone.

Molecular Properties

Compound Name2-(2-hydroxyphenoxy)-1-(4-propan-2-ylphenyl)ethanone
PubChem CID118408210
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name2-(2-hydroxyphenoxy)-1-(4-propan-2-ylphenyl)ethanone
SMILESCC(C)c1ccc(C(=O)COc2ccccc2O)cc1
InChIInChI=1S/C17H18O3/c1-12(2)13-7-9-14(10-8-13)16(19)11-20-17-6-4-3-5-15(17)18/h3-10,12,18H,11H2,1-2H3
InChIKeyCTTLTFNUKPOHIF-UHFFFAOYSA-N
XLogP3.78
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylphenoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 43413186
2-(2-ethylphenoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 43412435
2-(2-fluoro-3-methylphenoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 107659414
1-phenyl-2-(2-propan-2-ylphenoxy)ethanone
CID 43413868
N-cyclopropyl-2-(2-hydroxyphenoxy)-N-[(4-propan-2-ylphenyl)methyl]acetamide
CID 78813389
potassium 1-phenyl-3-(4-propan-2-ylphenyl)propane-1,3-dione
CID 56948149
2-(3-fluorophenoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 43413435
2-(3-ethylphenoxy)-1-(4-propan-2-ylphenyl)ethanone
CID 43411799
1,4-bis(4-propan-2-ylphenyl)butane-1,4-dione
CID 166515280
3-methoxy-4-[2-oxo-2-(4-propan-2-ylphenyl)ethoxy]benzonitrile
CID 7757521
1-(4-butan-2-ylphenyl)-2-(2-nitrophenoxy)ethanone
CID 55318642
1-(4-chlorophenyl)-2-(2-ethylphenoxy)ethanone
CID 43412426

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenoxy)-1-(4-propan-2-ylphenyl)ethanone?
The IUPAC name of 2-(2-hydroxyphenoxy)-1-(4-propan-2-ylphenyl)ethanone (CID 118408210) is 2-(2-hydroxyphenoxy)-1-(4-propan-2-ylphenyl)ethanone.
What is the SMILES notation for 2-(2-hydroxyphenoxy)-1-(4-propan-2-ylphenyl)ethanone?
The canonical SMILES for 2-(2-hydroxyphenoxy)-1-(4-propan-2-ylphenyl)ethanone is CC(C)c1ccc(C(=O)COc2ccccc2O)cc1.
What is the InChIKey of 2-(2-hydroxyphenoxy)-1-(4-propan-2-ylphenyl)ethanone?
The InChIKey is CTTLTFNUKPOHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-12(2)13-7-9-14(10-8-13)16(19)11-20-17-6-4-3-5-15(17)18/h3-10,12,18H,11H2,1-2H3.
What are the key properties of 2-(2-hydroxyphenoxy)-1-(4-propan-2-ylphenyl)ethanone?
2-(2-hydroxyphenoxy)-1-(4-propan-2-ylphenyl)ethanone has a molecular weight of 270.33 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenoxy)-1-(4-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 118408210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).