1-(5-ethyl-2,4-dihydroxyphenyl)-2-(4-ethylphenoxy)ethanone

C18H20O4 — CID 886154

IUPAC1-(5-ethyl-2,4-dihydroxyphenyl)-2-(4-ethylphenoxy)ethanone
SMILESCCc1ccc(OCC(=O)c2cc(CC)c(O)cc2O)cc1
InChIInChI=1S/C18H20O4/c1-3-12-5-7-14(8-6-12)22-11-18(21)15-9-13(4-2)16(19)10-17(15)20/h5-10,19-20H,3-4,11H2,1-2H3
InChIKeyOOYFTBXWTNWMBR-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.48
Rot. Bonds6

About 1-(5-ethyl-2,4-dihydroxyphenyl)-2-(4-ethylphenoxy)ethanone

1-(5-ethyl-2,4-dihydroxyphenyl)-2-(4-ethylphenoxy)ethanone (PubChem CID 886154) has the molecular formula C18H20O4 and a molecular weight of 300.35 g/mol. Its IUPAC name is 1-(5-ethyl-2,4-dihydroxyphenyl)-2-(4-ethylphenoxy)ethanone.

Molecular Properties

Compound Name1-(5-ethyl-2,4-dihydroxyphenyl)-2-(4-ethylphenoxy)ethanone
PubChem CID886154
Molecular FormulaC18H20O4
Molecular Weight300.35 g/mol
Exact Mass300.14
IUPAC Name1-(5-ethyl-2,4-dihydroxyphenyl)-2-(4-ethylphenoxy)ethanone
SMILESCCc1ccc(OCC(=O)c2cc(CC)c(O)cc2O)cc1
InChIInChI=1S/C18H20O4/c1-3-12-5-7-14(8-6-12)22-11-18(21)15-9-13(4-2)16(19)10-17(15)20/h5-10,19-20H,3-4,11H2,1-2H3
InChIKeyOOYFTBXWTNWMBR-UHFFFAOYSA-N
XLogP3.48
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-difluorophenoxy)-1-(5-ethyl-2,4-dihydroxyphenyl)ethanone
CID 118401844
1-(5-hexyl-2,4-dihydroxyphenyl)-2-(4-propan-2-ylphenoxy)ethanone
CID 118400411
1-(5-hexyl-2,4-dihydroxyphenyl)-2-phenoxyethanone;methyl 4-[2-(5-hexyl-2,4-dihydroxyphenyl)-2-oxoethoxy]benzoate
CID 144606931
1-(4-ethylphenoxy)propan-2-one
CID 21325379
1-(2,4-dihydroxyphenyl)-2-(4-ethoxyphenoxy)ethanone
CID 678669
1-(1-tert-butyl-2,5-dimethylpyrrol-3-yl)-2-(4-ethylphenoxy)ethanone
CID 110656181
2-(4-ethylphenoxy)-N-methoxyacetamide
CID 60716979
1-(2,4-dihydroxy-5-propylphenyl)-2-(2-fluorophenoxy)ethanone;1-(2,4-dihydroxy-5-propylphenyl)-2-(3-fluorophenoxy)ethanone
CID 144606938
1-(2-hydroxy-4-methoxyphenyl)-2-phenoxyethanone
CID 12541853
2-(4-ethylphenoxy)-1-thiophen-2-ylethanone
CID 43412734
propyl 2-(4-ethylphenoxy)acetate
CID 78907907
2-(4-ethylphenoxy)-N-methylacetohydrazide
CID 116820497

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2,4-dihydroxyphenyl)-2-(4-ethylphenoxy)ethanone?
The IUPAC name of 1-(5-ethyl-2,4-dihydroxyphenyl)-2-(4-ethylphenoxy)ethanone (CID 886154) is 1-(5-ethyl-2,4-dihydroxyphenyl)-2-(4-ethylphenoxy)ethanone.
What is the SMILES notation for 1-(5-ethyl-2,4-dihydroxyphenyl)-2-(4-ethylphenoxy)ethanone?
The canonical SMILES for 1-(5-ethyl-2,4-dihydroxyphenyl)-2-(4-ethylphenoxy)ethanone is CCc1ccc(OCC(=O)c2cc(CC)c(O)cc2O)cc1.
What is the InChIKey of 1-(5-ethyl-2,4-dihydroxyphenyl)-2-(4-ethylphenoxy)ethanone?
The InChIKey is OOYFTBXWTNWMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O4/c1-3-12-5-7-14(8-6-12)22-11-18(21)15-9-13(4-2)16(19)10-17(15)20/h5-10,19-20H,3-4,11H2,1-2H3.
What are the key properties of 1-(5-ethyl-2,4-dihydroxyphenyl)-2-(4-ethylphenoxy)ethanone?
1-(5-ethyl-2,4-dihydroxyphenyl)-2-(4-ethylphenoxy)ethanone has a molecular weight of 300.35 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2,4-dihydroxyphenyl)-2-(4-ethylphenoxy)ethanone is sourced from PubChem (CID 886154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).