[2-(4-benzoyloxyphenyl)-2-oxoethyl] 2-methylbenzoate

C23H18O5 — CID 19645386

IUPAC[2-(4-benzoyloxyphenyl)-2-oxoethyl] 2-methylbenzoate
SMILESCc1ccccc1C(=O)OCC(=O)c1ccc(OC(=O)c2ccccc2)cc1
InChIInChI=1S/C23H18O5/c1-16-7-5-6-10-20(16)23(26)27-15-21(24)17-11-13-19(14-12-17)28-22(25)18-8-3-2-4-9-18/h2-14H,15H2,1H3
InChIKeyJRVSAUCGCFOHBI-UHFFFAOYSA-N
MW374.39 g/mol
LogP4.25
Rot. Bonds6

About [2-(4-benzoyloxyphenyl)-2-oxoethyl] 2-methylbenzoate

[2-(4-benzoyloxyphenyl)-2-oxoethyl] 2-methylbenzoate (PubChem CID 19645386) has the molecular formula C23H18O5 and a molecular weight of 374.39 g/mol. Its IUPAC name is [2-(4-benzoyloxyphenyl)-2-oxoethyl] 2-methylbenzoate.

Molecular Properties

Compound Name[2-(4-benzoyloxyphenyl)-2-oxoethyl] 2-methylbenzoate
PubChem CID19645386
Molecular FormulaC23H18O5
Molecular Weight374.39 g/mol
Exact Mass374.12
IUPAC Name[2-(4-benzoyloxyphenyl)-2-oxoethyl] 2-methylbenzoate
SMILESCc1ccccc1C(=O)OCC(=O)c1ccc(OC(=O)c2ccccc2)cc1
InChIInChI=1S/C23H18O5/c1-16-7-5-6-10-20(16)23(26)27-15-21(24)17-11-13-19(14-12-17)28-22(25)18-8-3-2-4-9-18/h2-14H,15H2,1H3
InChIKeyJRVSAUCGCFOHBI-UHFFFAOYSA-N
XLogP4.25
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-(4-acetyloxyphenyl)-2-oxoethyl] benzoate
CID 4569147
[2-(4-benzoyloxyphenyl)-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 1218417
(4-methoxycarbonylphenyl) 2-methylbenzoate
CID 576739
[2-(4-benzoyloxyphenyl)-2-oxoethyl] 3-bromobenzoate
CID 1218403
[2-[4-(4-nitrobenzoyl)oxyphenyl]-2-oxoethyl] 2-methoxybenzoate
CID 19645428
[4-[2-(2-benzamidoacetyl)oxyacetyl]phenyl] benzoate
CID 2067592
[2-(4-acetyloxyphenyl)-2-oxoethyl] naphthalene-1-carboxylate
CID 3298622
[2-[4-(4-methylbenzoyl)oxyphenyl]-2-oxoethyl] 3-iodobenzoate
CID 126188973
[2-[4-(4-methylbenzoyl)oxyphenyl]-2-oxoethyl] 2,3-diphenylquinoxaline-6-carboxylate
CID 126188565
phenacyl 4-[4-(4-phenacyloxycarbonylphenoxy)benzoyl]benzoate
CID 3094530
[2-[4-(4-methylbenzoyl)oxyphenyl]-2-oxoethyl] 2-(4-ethylphenyl)quinoline-4-carboxylate
CID 126186966
phenacyl 2-sulfanylbenzoate
CID 135032600

Frequently Asked Questions

What is the IUPAC name of [2-(4-benzoyloxyphenyl)-2-oxoethyl] 2-methylbenzoate?
The IUPAC name of [2-(4-benzoyloxyphenyl)-2-oxoethyl] 2-methylbenzoate (CID 19645386) is [2-(4-benzoyloxyphenyl)-2-oxoethyl] 2-methylbenzoate.
What is the SMILES notation for [2-(4-benzoyloxyphenyl)-2-oxoethyl] 2-methylbenzoate?
The canonical SMILES for [2-(4-benzoyloxyphenyl)-2-oxoethyl] 2-methylbenzoate is Cc1ccccc1C(=O)OCC(=O)c1ccc(OC(=O)c2ccccc2)cc1.
What is the InChIKey of [2-(4-benzoyloxyphenyl)-2-oxoethyl] 2-methylbenzoate?
The InChIKey is JRVSAUCGCFOHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18O5/c1-16-7-5-6-10-20(16)23(26)27-15-21(24)17-11-13-19(14-12-17)28-22(25)18-8-3-2-4-9-18/h2-14H,15H2,1H3.
What are the key properties of [2-(4-benzoyloxyphenyl)-2-oxoethyl] 2-methylbenzoate?
[2-(4-benzoyloxyphenyl)-2-oxoethyl] 2-methylbenzoate has a molecular weight of 374.39 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-benzoyloxyphenyl)-2-oxoethyl] 2-methylbenzoate is sourced from PubChem (CID 19645386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).