1-(2,4-dihydroxyphenyl)-2-(4-ethoxyphenoxy)ethanone

C16H16O5 — CID 678669

IUPAC1-(2,4-dihydroxyphenyl)-2-(4-ethoxyphenoxy)ethanone
SMILESCCOc1ccc(OCC(=O)c2ccc(O)cc2O)cc1
InChIInChI=1S/C16H16O5/c1-2-20-12-4-6-13(7-5-12)21-10-16(19)14-8-3-11(17)9-15(14)18/h3-9,17-18H,2,10H2,1H3
InChIKeyDITBGNXTELTCDX-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.76
Rot. Bonds6

About 1-(2,4-dihydroxyphenyl)-2-(4-ethoxyphenoxy)ethanone

1-(2,4-dihydroxyphenyl)-2-(4-ethoxyphenoxy)ethanone (PubChem CID 678669) has the molecular formula C16H16O5 and a molecular weight of 288.30 g/mol. Its IUPAC name is 1-(2,4-dihydroxyphenyl)-2-(4-ethoxyphenoxy)ethanone.

Molecular Properties

Compound Name1-(2,4-dihydroxyphenyl)-2-(4-ethoxyphenoxy)ethanone
PubChem CID678669
Molecular FormulaC16H16O5
Molecular Weight288.30 g/mol
Exact Mass288.10
IUPAC Name1-(2,4-dihydroxyphenyl)-2-(4-ethoxyphenoxy)ethanone
SMILESCCOc1ccc(OCC(=O)c2ccc(O)cc2O)cc1
InChIInChI=1S/C16H16O5/c1-2-20-12-4-6-13(7-5-12)21-10-16(19)14-8-3-11(17)9-15(14)18/h3-9,17-18H,2,10H2,1H3
InChIKeyDITBGNXTELTCDX-UHFFFAOYSA-N
XLogP2.76
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2,4-dihydroxyphenyl)-(4-ethoxy-2-hydroxyphenyl)methanone
CID 23069395
4-[2-(2,4-dihydroxyphenyl)-2-oxoethoxy]benzonitrile
CID 38900024
1-(2-hydroxy-4-methoxyphenyl)-2-phenoxyethanone
CID 12541853
4-ethoxy-N'-(4-ethoxy-2-hydroxybenzoyl)-2-hydroxybenzohydrazide
CID 20557201
1-(2,4-dihydroxyphenyl)-2-(2-propan-2-ylphenoxy)ethanone
CID 724519
ethane;methyl 3-[2-(2,4-dihydroxyphenyl)-2-oxoethoxy]benzoate
CID 144606949
1-(2,5-dichlorophenyl)-2-(4-ethoxyphenoxy)ethanone
CID 43411639
7-[2-(2,4-dihydroxyphenyl)-2-oxoethoxy]-4-methylchromen-2-one
CID 78788494
1-(2,4-dihydroxyphenyl)-2-(2,5-dimethylphenoxy)ethanone
CID 16641365
1-[4-(4-ethoxyphenyl)-2-hydroxyphenyl]ethanone
CID 3584432
1-(5-ethyl-2,4-dihydroxyphenyl)-2-(4-ethylphenoxy)ethanone
CID 886154
1-(2,4-dihydroxyphenyl)-2-hydroxyethanone
CID 11715230

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dihydroxyphenyl)-2-(4-ethoxyphenoxy)ethanone?
The IUPAC name of 1-(2,4-dihydroxyphenyl)-2-(4-ethoxyphenoxy)ethanone (CID 678669) is 1-(2,4-dihydroxyphenyl)-2-(4-ethoxyphenoxy)ethanone.
What is the SMILES notation for 1-(2,4-dihydroxyphenyl)-2-(4-ethoxyphenoxy)ethanone?
The canonical SMILES for 1-(2,4-dihydroxyphenyl)-2-(4-ethoxyphenoxy)ethanone is CCOc1ccc(OCC(=O)c2ccc(O)cc2O)cc1.
What is the InChIKey of 1-(2,4-dihydroxyphenyl)-2-(4-ethoxyphenoxy)ethanone?
The InChIKey is DITBGNXTELTCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O5/c1-2-20-12-4-6-13(7-5-12)21-10-16(19)14-8-3-11(17)9-15(14)18/h3-9,17-18H,2,10H2,1H3.
What are the key properties of 1-(2,4-dihydroxyphenyl)-2-(4-ethoxyphenoxy)ethanone?
1-(2,4-dihydroxyphenyl)-2-(4-ethoxyphenoxy)ethanone has a molecular weight of 288.30 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dihydroxyphenyl)-2-(4-ethoxyphenoxy)ethanone is sourced from PubChem (CID 678669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).