1-(2,4-diethoxy-6-hydroxyphenyl)ethanone

C12H16O4 — CID 819891

IUPAC1-(2,4-diethoxy-6-hydroxyphenyl)ethanone
SMILESCCOc1cc(O)c(C(C)=O)c(OCC)c1
InChIInChI=1S/C12H16O4/c1-4-15-9-6-10(14)12(8(3)13)11(7-9)16-5-2/h6-7,14H,4-5H2,1-3H3
InChIKeyZQSXHBMSOWNCNP-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.39
Rot. Bonds5

About 1-(2,4-diethoxy-6-hydroxyphenyl)ethanone

1-(2,4-diethoxy-6-hydroxyphenyl)ethanone (PubChem CID 819891) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-(2,4-diethoxy-6-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name1-(2,4-diethoxy-6-hydroxyphenyl)ethanone
PubChem CID819891
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name1-(2,4-diethoxy-6-hydroxyphenyl)ethanone
SMILESCCOc1cc(O)c(C(C)=O)c(OCC)c1
InChIInChI=1S/C12H16O4/c1-4-15-9-6-10(14)12(8(3)13)11(7-9)16-5-2/h6-7,14H,4-5H2,1-3H3
InChIKeyZQSXHBMSOWNCNP-UHFFFAOYSA-N
XLogP2.39
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-acetyl-3,5-diethoxyphenyl)ethanone
CID 155595563
1-[2-hydroxy-6-methoxy-4-(methoxymethoxy)phenyl]ethanone
CID 11195478
3-methoxy-1-(2,4,6-triethoxyphenyl)propan-1-one
CID 93191508
tris(2,4,6-triethoxyphenyl)sulfanium acetate
CID 161016297
1-[2,4,6-tris(methoxymethoxy)phenyl]ethanone
CID 10935461
1-(2-ethoxy-4-ethyl-6-iodophenyl)ethanone
CID 171033650
1-(2-ethoxy-6-fluoro-4-iodophenyl)ethanone
CID 131310771
2,4-diethoxybenzoate
CID 6951194
2,4-diethoxybenzamide
CID 17145726
1-(2,5-diethoxyphenyl)ethanone
CID 4075332
2,4-diethoxy-N,N-diethyl-6-sulfamoylbenzamide
CID 23353685
1-[4-(4-ethoxyphenyl)-2-hydroxyphenyl]ethanone
CID 3584432

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-diethoxy-6-hydroxyphenyl)ethanone?
The IUPAC name of 1-(2,4-diethoxy-6-hydroxyphenyl)ethanone (CID 819891) is 1-(2,4-diethoxy-6-hydroxyphenyl)ethanone.
What is the SMILES notation for 1-(2,4-diethoxy-6-hydroxyphenyl)ethanone?
The canonical SMILES for 1-(2,4-diethoxy-6-hydroxyphenyl)ethanone is CCOc1cc(O)c(C(C)=O)c(OCC)c1.
What is the InChIKey of 1-(2,4-diethoxy-6-hydroxyphenyl)ethanone?
The InChIKey is ZQSXHBMSOWNCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-4-15-9-6-10(14)12(8(3)13)11(7-9)16-5-2/h6-7,14H,4-5H2,1-3H3.
What are the key properties of 1-(2,4-diethoxy-6-hydroxyphenyl)ethanone?
1-(2,4-diethoxy-6-hydroxyphenyl)ethanone has a molecular weight of 224.26 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-diethoxy-6-hydroxyphenyl)ethanone is sourced from PubChem (CID 819891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).