(5-benzoyloxy-4-ethyl-2-methylphenyl) benzoate

C23H20O4 — CID 58788729

IUPAC(5-benzoyloxy-4-ethyl-2-methylphenyl) benzoate
SMILESCCc1cc(C)c(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1
InChIInChI=1S/C23H20O4/c1-3-17-14-16(2)20(26-22(24)18-10-6-4-7-11-18)15-21(17)27-23(25)19-12-8-5-9-13-19/h4-15H,3H2,1-2H3
InChIKeySPMBRYNYVXMXBM-UHFFFAOYSA-N
MW360.41 g/mol
LogP5.00
Rot. Bonds5

About (5-benzoyloxy-4-ethyl-2-methylphenyl) benzoate

(5-benzoyloxy-4-ethyl-2-methylphenyl) benzoate (PubChem CID 58788729) has the molecular formula C23H20O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is (5-benzoyloxy-4-ethyl-2-methylphenyl) benzoate.

Molecular Properties

Compound Name(5-benzoyloxy-4-ethyl-2-methylphenyl) benzoate
PubChem CID58788729
Molecular FormulaC23H20O4
Molecular Weight360.41 g/mol
Exact Mass360.14
IUPAC Name(5-benzoyloxy-4-ethyl-2-methylphenyl) benzoate
SMILESCCc1cc(C)c(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1
InChIInChI=1S/C23H20O4/c1-3-17-14-16(2)20(26-22(24)18-10-6-4-7-11-18)15-21(17)27-23(25)19-12-8-5-9-13-19/h4-15H,3H2,1-2H3
InChIKeySPMBRYNYVXMXBM-UHFFFAOYSA-N
XLogP5.00
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[5-(diethylamino)-2-methylphenyl] benzoate
CID 129225541
(2-acetyl-4-ethylphenyl) benzoate
CID 11832389
(2-benzoyloxy-3-ethyl-5-propan-2-ylphenyl) benzoate
CID 67424979
(2-butyl-4-methylphenyl) benzoate
CID 70578345
(2-tert-butyl-4-ethylphenyl) benzoate
CID 146420995
[2-[[(2-benzoyloxy-5-methylphenyl)methyl-methylamino]methyl]-4-methylphenyl] benzoate
CID 100999769
(5-bromo-2-butanoylphenyl) benzoate
CID 141249988
[4-[1-(4-hydroxy-3-methylphenyl)ethyl]-2-methylphenyl] benzoate
CID 89256327
(2-benzoyloxy-4-tert-butyl-5-methylphenyl) benzoate
CID 172852999
(4-benzoyloxy-2-methylphenyl) 4-hydroxybenzoate
CID 89390989
[2-benzoyloxy-3-ethyl-5-(2-methylpropyl)phenyl] benzoate
CID 67424956
(2-methylphenyl) 2-benzoyloxybenzoate
CID 21306244

Frequently Asked Questions

What is the IUPAC name of (5-benzoyloxy-4-ethyl-2-methylphenyl) benzoate?
The IUPAC name of (5-benzoyloxy-4-ethyl-2-methylphenyl) benzoate (CID 58788729) is (5-benzoyloxy-4-ethyl-2-methylphenyl) benzoate.
What is the SMILES notation for (5-benzoyloxy-4-ethyl-2-methylphenyl) benzoate?
The canonical SMILES for (5-benzoyloxy-4-ethyl-2-methylphenyl) benzoate is CCc1cc(C)c(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1.
What is the InChIKey of (5-benzoyloxy-4-ethyl-2-methylphenyl) benzoate?
The InChIKey is SPMBRYNYVXMXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O4/c1-3-17-14-16(2)20(26-22(24)18-10-6-4-7-11-18)15-21(17)27-23(25)19-12-8-5-9-13-19/h4-15H,3H2,1-2H3.
What are the key properties of (5-benzoyloxy-4-ethyl-2-methylphenyl) benzoate?
(5-benzoyloxy-4-ethyl-2-methylphenyl) benzoate has a molecular weight of 360.41 g/mol, XLogP of 5.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-benzoyloxy-4-ethyl-2-methylphenyl) benzoate is sourced from PubChem (CID 58788729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).