[2-(4-benzoyloxyphenyl)-2-oxoethyl] 5-chloro-2-hydroxybenzoate

C22H15ClO6 — CID 1218417

IUPAC[2-(4-benzoyloxyphenyl)-2-oxoethyl] 5-chloro-2-hydroxybenzoate
SMILESO=C(COC(=O)c1cc(Cl)ccc1O)c1ccc(OC(=O)c2ccccc2)cc1
InChIInChI=1S/C22H15ClO6/c23-16-8-11-19(24)18(12-16)22(27)28-13-20(25)14-6-9-17(10-7-14)29-21(26)15-4-2-1-3-5-15/h1-12,24H,13H2
InChIKeyLZZAXZQHTZXJTM-UHFFFAOYSA-N
MW410.81 g/mol
LogP4.30
Rot. Bonds6

About [2-(4-benzoyloxyphenyl)-2-oxoethyl] 5-chloro-2-hydroxybenzoate

[2-(4-benzoyloxyphenyl)-2-oxoethyl] 5-chloro-2-hydroxybenzoate (PubChem CID 1218417) has the molecular formula C22H15ClO6 and a molecular weight of 410.81 g/mol. Its IUPAC name is [2-(4-benzoyloxyphenyl)-2-oxoethyl] 5-chloro-2-hydroxybenzoate.

Molecular Properties

Compound Name[2-(4-benzoyloxyphenyl)-2-oxoethyl] 5-chloro-2-hydroxybenzoate
PubChem CID1218417
Molecular FormulaC22H15ClO6
Molecular Weight410.81 g/mol
Exact Mass410.06
IUPAC Name[2-(4-benzoyloxyphenyl)-2-oxoethyl] 5-chloro-2-hydroxybenzoate
SMILESO=C(COC(=O)c1cc(Cl)ccc1O)c1ccc(OC(=O)c2ccccc2)cc1
InChIInChI=1S/C22H15ClO6/c23-16-8-11-19(24)18(12-16)22(27)28-13-20(25)14-6-9-17(10-7-14)29-21(26)15-4-2-1-3-5-15/h1-12,24H,13H2
InChIKeyLZZAXZQHTZXJTM-UHFFFAOYSA-N
XLogP4.30
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.81
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-(4-benzoyloxyphenyl)-2-oxoethyl] 2-methylbenzoate
CID 19645386
ethyl 5-benzoyloxy-2-hydroxybenzoate
CID 18544052
[2-(4-benzoyloxyphenyl)-2-oxoethyl] 4-(5,6-dichloro-1,3-dioxoisoindol-2-yl)benzoate
CID 126184459
[2-(4-benzoyloxyphenyl)-2-oxoethyl] 3-bromobenzoate
CID 1218403
[2-(4-chlorophenyl)-2-oxoethyl] 6-(4-chlorobenzoyl)oxynaphthalene-2-carboxylate
CID 587367
phenacyl 2-(4-chlorobenzoyl)benzoate
CID 2586328
[2-(4-benzoyloxyphenyl)-2-oxoethyl] 4-chloro-3-nitrobenzoate
CID 1298893
[2-(4-acetyloxyphenyl)-2-oxoethyl] benzoate
CID 4569147
[2-(4-chlorophenyl)-2-oxoethyl] 2-chlorobenzoate
CID 587174
phenacyl 4-chloro-2-[(4-chlorobenzoyl)amino]benzoate
CID 2725420
[4-[2-(4-chlorobenzoyl)oxyacetyl]phenyl] 4-nitrobenzoate
CID 19645392
[2-(4-bromophenyl)-2-oxoethyl] 2-hydroxy-5-methoxybenzoate
CID 7442136

Frequently Asked Questions

What is the IUPAC name of [2-(4-benzoyloxyphenyl)-2-oxoethyl] 5-chloro-2-hydroxybenzoate?
The IUPAC name of [2-(4-benzoyloxyphenyl)-2-oxoethyl] 5-chloro-2-hydroxybenzoate (CID 1218417) is [2-(4-benzoyloxyphenyl)-2-oxoethyl] 5-chloro-2-hydroxybenzoate.
What is the SMILES notation for [2-(4-benzoyloxyphenyl)-2-oxoethyl] 5-chloro-2-hydroxybenzoate?
The canonical SMILES for [2-(4-benzoyloxyphenyl)-2-oxoethyl] 5-chloro-2-hydroxybenzoate is O=C(COC(=O)c1cc(Cl)ccc1O)c1ccc(OC(=O)c2ccccc2)cc1.
What is the InChIKey of [2-(4-benzoyloxyphenyl)-2-oxoethyl] 5-chloro-2-hydroxybenzoate?
The InChIKey is LZZAXZQHTZXJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClO6/c23-16-8-11-19(24)18(12-16)22(27)28-13-20(25)14-6-9-17(10-7-14)29-21(26)15-4-2-1-3-5-15/h1-12,24H,13H2.
What are the key properties of [2-(4-benzoyloxyphenyl)-2-oxoethyl] 5-chloro-2-hydroxybenzoate?
[2-(4-benzoyloxyphenyl)-2-oxoethyl] 5-chloro-2-hydroxybenzoate has a molecular weight of 410.81 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-benzoyloxyphenyl)-2-oxoethyl] 5-chloro-2-hydroxybenzoate is sourced from PubChem (CID 1218417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).