ethyl 5-benzoyloxy-2-hydroxybenzoate

C16H14O5 — CID 18544052

IUPACethyl 5-benzoyloxy-2-hydroxybenzoate
SMILESCCOC(=O)c1cc(OC(=O)c2ccccc2)ccc1O
InChIInChI=1S/C16H14O5/c1-2-20-16(19)13-10-12(8-9-14(13)17)21-15(18)11-6-4-3-5-7-11/h3-10,17H,2H2,1H3
InChIKeyCPTLJYHTWIXRCH-UHFFFAOYSA-N
MW286.28 g/mol
LogP2.79
Rot. Bonds4

About ethyl 5-benzoyloxy-2-hydroxybenzoate

ethyl 5-benzoyloxy-2-hydroxybenzoate (PubChem CID 18544052) has the molecular formula C16H14O5 and a molecular weight of 286.28 g/mol. Its IUPAC name is ethyl 5-benzoyloxy-2-hydroxybenzoate.

Molecular Properties

Compound Nameethyl 5-benzoyloxy-2-hydroxybenzoate
PubChem CID18544052
Molecular FormulaC16H14O5
Molecular Weight286.28 g/mol
Exact Mass286.08
IUPAC Nameethyl 5-benzoyloxy-2-hydroxybenzoate
SMILESCCOC(=O)c1cc(OC(=O)c2ccccc2)ccc1O
InChIInChI=1S/C16H14O5/c1-2-20-16(19)13-10-12(8-9-14(13)17)21-15(18)11-6-4-3-5-7-11/h3-10,17H,2H2,1H3
InChIKeyCPTLJYHTWIXRCH-UHFFFAOYSA-N
XLogP2.79
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[2-(4-benzoyloxyphenyl)-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 1218417
benzoyl 4-benzoyloxy-2-hydroxybenzoate
CID 150466939
CID 158970570
CID 158970570
ethyl 2-hydroxybenzoate;formaldehyde
CID 158790120
ethyl 5-[(3-ethoxycarbonyl-4-hydroxyphenyl)methyl]-2-hydroxybenzoate
CID 23660222
ethyl benzoate;phthalic acid
CID 159584831
chloroethane;ethyl benzoate
CID 91175503
ethyl benzoate;toluene
CID 23150750
ethyl 3-(4-butoxybenzoyl)oxybenzoate
CID 17131146
bicyclo[3.1.0]hexa-1(6),2,4-triene;ethyl benzoate
CID 67172925
ethyl 2-hydroxy-5-sulfamoylbenzoate
CID 21312229
ethyl 2-hydroxy-5-(2-hydroxy-5-methylbenzoyl)-3-phenoxybenzoate
CID 24786821

Frequently Asked Questions

What is the IUPAC name of ethyl 5-benzoyloxy-2-hydroxybenzoate?
The IUPAC name of ethyl 5-benzoyloxy-2-hydroxybenzoate (CID 18544052) is ethyl 5-benzoyloxy-2-hydroxybenzoate.
What is the SMILES notation for ethyl 5-benzoyloxy-2-hydroxybenzoate?
The canonical SMILES for ethyl 5-benzoyloxy-2-hydroxybenzoate is CCOC(=O)c1cc(OC(=O)c2ccccc2)ccc1O.
What is the InChIKey of ethyl 5-benzoyloxy-2-hydroxybenzoate?
The InChIKey is CPTLJYHTWIXRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O5/c1-2-20-16(19)13-10-12(8-9-14(13)17)21-15(18)11-6-4-3-5-7-11/h3-10,17H,2H2,1H3.
What are the key properties of ethyl 5-benzoyloxy-2-hydroxybenzoate?
ethyl 5-benzoyloxy-2-hydroxybenzoate has a molecular weight of 286.28 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-benzoyloxy-2-hydroxybenzoate is sourced from PubChem (CID 18544052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).