1-(2,4-dihydroxyphenyl)-2-(2-propan-2-ylphenoxy)ethanone

C17H18O4 — CID 724519

IUPAC1-(2,4-dihydroxyphenyl)-2-(2-propan-2-ylphenoxy)ethanone
SMILESCC(C)c1ccccc1OCC(=O)c1ccc(O)cc1O
InChIInChI=1S/C17H18O4/c1-11(2)13-5-3-4-6-17(13)21-10-16(20)14-8-7-12(18)9-15(14)19/h3-9,11,18-19H,10H2,1-2H3
InChIKeyCNYIAQKTZLOMAT-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.48
Rot. Bonds5

About 1-(2,4-dihydroxyphenyl)-2-(2-propan-2-ylphenoxy)ethanone

1-(2,4-dihydroxyphenyl)-2-(2-propan-2-ylphenoxy)ethanone (PubChem CID 724519) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-(2,4-dihydroxyphenyl)-2-(2-propan-2-ylphenoxy)ethanone.

Molecular Properties

Compound Name1-(2,4-dihydroxyphenyl)-2-(2-propan-2-ylphenoxy)ethanone
PubChem CID724519
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name1-(2,4-dihydroxyphenyl)-2-(2-propan-2-ylphenoxy)ethanone
SMILESCC(C)c1ccccc1OCC(=O)c1ccc(O)cc1O
InChIInChI=1S/C17H18O4/c1-11(2)13-5-3-4-6-17(13)21-10-16(20)14-8-7-12(18)9-15(14)19/h3-9,11,18-19H,10H2,1-2H3
InChIKeyCNYIAQKTZLOMAT-UHFFFAOYSA-N
XLogP3.48
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2,4-dihydroxyphenyl)-2-(2-propan-2-ylphenoxy)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(2,4-dihydroxyphenyl)-2-oxoethoxy]benzoate
CID 4746417
1-(2,4-dichlorophenyl)-2-(2-propan-2-ylphenoxy)ethanone
CID 43413856
1-(2-fluorophenyl)-2-(2-propan-2-ylphenoxy)ethanone
CID 43413870
1-phenyl-2-(2-propan-2-ylphenoxy)ethanone
CID 43413868
1-(2,5-dibromothiophen-3-yl)-2-(2-propan-2-ylphenoxy)ethanone
CID 43220137
1-(2,4-dihydroxyphenyl)-2-(4-ethoxyphenoxy)ethanone
CID 678669
3-hydroxy-N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 4879587
2-[2-(2,3-dihydro-1H-imidazol-4-yl)phenoxy]-1-(2,4-dihydroxyphenyl)ethanone
CID 143884942
1-N',5-N'-bis[2-(2-propan-2-ylphenoxy)acetyl]pentanedihydrazide
CID 3554714
N-propan-2-yl-2-(2-propan-2-ylphenoxy)acetamide
CID 19168088
1-(5-chlorothiophen-2-yl)-2-(2-propan-2-ylphenoxy)ethanone
CID 43413871
N-methyl-2-(2-propan-2-ylphenoxy)acetohydrazide
CID 116820498

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dihydroxyphenyl)-2-(2-propan-2-ylphenoxy)ethanone?
The IUPAC name of 1-(2,4-dihydroxyphenyl)-2-(2-propan-2-ylphenoxy)ethanone (CID 724519) is 1-(2,4-dihydroxyphenyl)-2-(2-propan-2-ylphenoxy)ethanone.
What is the SMILES notation for 1-(2,4-dihydroxyphenyl)-2-(2-propan-2-ylphenoxy)ethanone?
The canonical SMILES for 1-(2,4-dihydroxyphenyl)-2-(2-propan-2-ylphenoxy)ethanone is CC(C)c1ccccc1OCC(=O)c1ccc(O)cc1O.
What is the InChIKey of 1-(2,4-dihydroxyphenyl)-2-(2-propan-2-ylphenoxy)ethanone?
The InChIKey is CNYIAQKTZLOMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-11(2)13-5-3-4-6-17(13)21-10-16(20)14-8-7-12(18)9-15(14)19/h3-9,11,18-19H,10H2,1-2H3.
What are the key properties of 1-(2,4-dihydroxyphenyl)-2-(2-propan-2-ylphenoxy)ethanone?
1-(2,4-dihydroxyphenyl)-2-(2-propan-2-ylphenoxy)ethanone has a molecular weight of 286.33 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dihydroxyphenyl)-2-(2-propan-2-ylphenoxy)ethanone is sourced from PubChem (CID 724519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).