ethyl 2-hydroxy-5-(2-hydroxy-5-methylbenzoyl)-3-phenoxybenzoate

C23H20O6 — CID 24786821

IUPACethyl 2-hydroxy-5-(2-hydroxy-5-methylbenzoyl)-3-phenoxybenzoate
SMILESCCOC(=O)c1cc(C(=O)c2cc(C)ccc2O)cc(Oc2ccccc2)c1O
InChIInChI=1S/C23H20O6/c1-3-28-23(27)18-12-15(21(25)17-11-14(2)9-10-19(17)24)13-20(22(18)26)29-16-7-5-4-6-8-16/h4-13,24,26H,3H2,1-2H3
InChIKeyXBZUREWUYXSJMV-UHFFFAOYSA-N
MW392.41 g/mol
LogP4.61
Rot. Bonds6

About ethyl 2-hydroxy-5-(2-hydroxy-5-methylbenzoyl)-3-phenoxybenzoate

ethyl 2-hydroxy-5-(2-hydroxy-5-methylbenzoyl)-3-phenoxybenzoate (PubChem CID 24786821) has the molecular formula C23H20O6 and a molecular weight of 392.41 g/mol. Its IUPAC name is ethyl 2-hydroxy-5-(2-hydroxy-5-methylbenzoyl)-3-phenoxybenzoate.

Molecular Properties

Compound Nameethyl 2-hydroxy-5-(2-hydroxy-5-methylbenzoyl)-3-phenoxybenzoate
PubChem CID24786821
Molecular FormulaC23H20O6
Molecular Weight392.41 g/mol
Exact Mass392.13
IUPAC Nameethyl 2-hydroxy-5-(2-hydroxy-5-methylbenzoyl)-3-phenoxybenzoate
SMILESCCOC(=O)c1cc(C(=O)c2cc(C)ccc2O)cc(Oc2ccccc2)c1O
InChIInChI=1S/C23H20O6/c1-3-28-23(27)18-12-15(21(25)17-11-14(2)9-10-19(17)24)13-20(22(18)26)29-16-7-5-4-6-8-16/h4-13,24,26H,3H2,1-2H3
InChIKeyXBZUREWUYXSJMV-UHFFFAOYSA-N
XLogP4.61
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

diethyl 2-phenoxybenzene-1,4-dicarboxylate;diphenylmethanone
CID 174910592
ethyl 5-benzoyloxy-2-hydroxybenzoate
CID 18544052
ethyl 5-chloro-2-phenoxybenzoate
CID 11652014
ethyl 4-methyl-2-(4-methylbenzoyl)benzoate
CID 102187690
ethyl 3-cyano-5-(2-hydroxybenzoyl)-2-phenylbenzoate
CID 56647866
ethyl 2-(hydroxyamino)-5-phenoxybenzoate
CID 90258346
ethyl 1-hydroxy-6-methyl-4-phenylnaphthalene-2-carboxylate
CID 152738087
ethyl 5-(2-hydroxybenzoyl)-3-(4-methoxyphenyl)-2-methylbenzoate
CID 56648068
ethyl 2-hydroxybenzoate;formaldehyde
CID 158790120
ethyl 2-(4-bromophenoxy)benzoate
CID 23464800
ethyl 5-[(3-ethoxycarbonyl-4-hydroxyphenyl)methyl]-2-hydroxybenzoate
CID 23660222
ethyl 2-fluoro-5-methylbenzoate;2-fluoro-5-methylbenzoic acid
CID 158020470

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-5-(2-hydroxy-5-methylbenzoyl)-3-phenoxybenzoate?
The IUPAC name of ethyl 2-hydroxy-5-(2-hydroxy-5-methylbenzoyl)-3-phenoxybenzoate (CID 24786821) is ethyl 2-hydroxy-5-(2-hydroxy-5-methylbenzoyl)-3-phenoxybenzoate.
What is the SMILES notation for ethyl 2-hydroxy-5-(2-hydroxy-5-methylbenzoyl)-3-phenoxybenzoate?
The canonical SMILES for ethyl 2-hydroxy-5-(2-hydroxy-5-methylbenzoyl)-3-phenoxybenzoate is CCOC(=O)c1cc(C(=O)c2cc(C)ccc2O)cc(Oc2ccccc2)c1O.
What is the InChIKey of ethyl 2-hydroxy-5-(2-hydroxy-5-methylbenzoyl)-3-phenoxybenzoate?
The InChIKey is XBZUREWUYXSJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O6/c1-3-28-23(27)18-12-15(21(25)17-11-14(2)9-10-19(17)24)13-20(22(18)26)29-16-7-5-4-6-8-16/h4-13,24,26H,3H2,1-2H3.
What are the key properties of ethyl 2-hydroxy-5-(2-hydroxy-5-methylbenzoyl)-3-phenoxybenzoate?
ethyl 2-hydroxy-5-(2-hydroxy-5-methylbenzoyl)-3-phenoxybenzoate has a molecular weight of 392.41 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-5-(2-hydroxy-5-methylbenzoyl)-3-phenoxybenzoate is sourced from PubChem (CID 24786821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).