2-[2-(5-ethyl-2,4-dihydroxyphenyl)-2-oxoethoxy]benzoic acid

C17H16O6 — CID 118401850

IUPAC2-[2-(5-ethyl-2,4-dihydroxyphenyl)-2-oxoethoxy]benzoic acid
SMILESCCc1cc(C(=O)COc2ccccc2C(=O)O)c(O)cc1O
InChIInChI=1S/C17H16O6/c1-2-10-7-12(14(19)8-13(10)18)15(20)9-23-16-6-4-3-5-11(16)17(21)22/h3-8,18-19H,2,9H2,1H3,(H,21,22)
InChIKeyZKSGYEPDWBBQBY-UHFFFAOYSA-N
MW316.31 g/mol
LogP2.62
Rot. Bonds6

About 2-[2-(5-ethyl-2,4-dihydroxyphenyl)-2-oxoethoxy]benzoic acid

2-[2-(5-ethyl-2,4-dihydroxyphenyl)-2-oxoethoxy]benzoic acid (PubChem CID 118401850) has the molecular formula C17H16O6 and a molecular weight of 316.31 g/mol. Its IUPAC name is 2-[2-(5-ethyl-2,4-dihydroxyphenyl)-2-oxoethoxy]benzoic acid.

Molecular Properties

Compound Name2-[2-(5-ethyl-2,4-dihydroxyphenyl)-2-oxoethoxy]benzoic acid
PubChem CID118401850
Molecular FormulaC17H16O6
Molecular Weight316.31 g/mol
Exact Mass316.09
IUPAC Name2-[2-(5-ethyl-2,4-dihydroxyphenyl)-2-oxoethoxy]benzoic acid
SMILESCCc1cc(C(=O)COc2ccccc2C(=O)O)c(O)cc1O
InChIInChI=1S/C17H16O6/c1-2-10-7-12(14(19)8-13(10)18)15(20)9-23-16-6-4-3-5-11(16)17(21)22/h3-8,18-19H,2,9H2,1H3,(H,21,22)
InChIKeyZKSGYEPDWBBQBY-UHFFFAOYSA-N
XLogP2.62
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-ethyl-2,4-dihydroxyphenyl)-2-(4-ethylphenoxy)ethanone
CID 886154
2-phenacyloxybenzoic acid
CID 23764826
2-ethoxybenzoic acid;zinc
CID 172723273
2-(2-ethoxy-2-oxoethoxy)benzoic acid
CID 1302464
1-(2,4-dihydroxy-5-propylphenyl)-2-(2-fluorophenoxy)ethanone;1-(2,4-dihydroxy-5-propylphenyl)-2-(3-fluorophenoxy)ethanone
CID 144606938
2-(2-methoxy-2-oxoethoxy)benzoic acid
CID 11218054
potassium;2-ethoxybenzoic acid;hydride
CID 175278645
1-(2-bromophenyl)-2-(2-ethylphenoxy)ethanone
CID 43412397
2-[2-(2,4-dihydroxyphenyl)-2-oxoethoxy]benzoate
CID 4746417
2-(2,5-difluorophenoxy)-1-(2-ethoxyphenyl)ethanone
CID 63269700
2-butoxybenzoic acid;carbonic acid
CID 137455653
2-(2,4-difluorophenoxy)-1-(2,4-dihydroxy-5-methylphenyl)ethanone
CID 118401895

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-ethyl-2,4-dihydroxyphenyl)-2-oxoethoxy]benzoic acid?
The IUPAC name of 2-[2-(5-ethyl-2,4-dihydroxyphenyl)-2-oxoethoxy]benzoic acid (CID 118401850) is 2-[2-(5-ethyl-2,4-dihydroxyphenyl)-2-oxoethoxy]benzoic acid.
What is the SMILES notation for 2-[2-(5-ethyl-2,4-dihydroxyphenyl)-2-oxoethoxy]benzoic acid?
The canonical SMILES for 2-[2-(5-ethyl-2,4-dihydroxyphenyl)-2-oxoethoxy]benzoic acid is CCc1cc(C(=O)COc2ccccc2C(=O)O)c(O)cc1O.
What is the InChIKey of 2-[2-(5-ethyl-2,4-dihydroxyphenyl)-2-oxoethoxy]benzoic acid?
The InChIKey is ZKSGYEPDWBBQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O6/c1-2-10-7-12(14(19)8-13(10)18)15(20)9-23-16-6-4-3-5-11(16)17(21)22/h3-8,18-19H,2,9H2,1H3,(H,21,22).
What are the key properties of 2-[2-(5-ethyl-2,4-dihydroxyphenyl)-2-oxoethoxy]benzoic acid?
2-[2-(5-ethyl-2,4-dihydroxyphenyl)-2-oxoethoxy]benzoic acid has a molecular weight of 316.31 g/mol, XLogP of 2.62, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-ethyl-2,4-dihydroxyphenyl)-2-oxoethoxy]benzoic acid is sourced from PubChem (CID 118401850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).