(2-benzoyloxy-6-ethyl-3,4-diphenylphenyl) benzoate

C34H26O4 — CID 87393935

IUPAC(2-benzoyloxy-6-ethyl-3,4-diphenylphenyl) benzoate
SMILESCCc1cc(-c2ccccc2)c(-c2ccccc2)c(OC(=O)c2ccccc2)c1OC(=O)c1ccccc1
InChIInChI=1S/C34H26O4/c1-2-24-23-29(25-15-7-3-8-16-25)30(26-17-9-4-10-18-26)32(38-34(36)28-21-13-6-14-22-28)31(24)37-33(35)27-19-11-5-12-20-27/h3-23H,2H2,1H3
InChIKeyLSNXIPRDYXKFFJ-UHFFFAOYSA-N
MW498.58 g/mol
LogP8.02
Rot. Bonds7

About (2-benzoyloxy-6-ethyl-3,4-diphenylphenyl) benzoate

(2-benzoyloxy-6-ethyl-3,4-diphenylphenyl) benzoate (PubChem CID 87393935) has the molecular formula C34H26O4 and a molecular weight of 498.58 g/mol. Its IUPAC name is (2-benzoyloxy-6-ethyl-3,4-diphenylphenyl) benzoate.

Molecular Properties

Compound Name(2-benzoyloxy-6-ethyl-3,4-diphenylphenyl) benzoate
PubChem CID87393935
Molecular FormulaC34H26O4
Molecular Weight498.58 g/mol
Exact Mass498.18
IUPAC Name(2-benzoyloxy-6-ethyl-3,4-diphenylphenyl) benzoate
SMILESCCc1cc(-c2ccccc2)c(-c2ccccc2)c(OC(=O)c2ccccc2)c1OC(=O)c1ccccc1
InChIInChI=1S/C34H26O4/c1-2-24-23-29(25-15-7-3-8-16-25)30(26-17-9-4-10-18-26)32(38-34(36)28-21-13-6-14-22-28)31(24)37-33(35)27-19-11-5-12-20-27/h3-23H,2H2,1H3
InChIKeyLSNXIPRDYXKFFJ-UHFFFAOYSA-N
XLogP8.02
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.58
LogP ≤ 58.02
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

(2-benzoyloxy-3-butyl-6-ethyl-4-phenylphenyl) benzoate
CID 87394111
(2-benzoyloxy-4,6-diethyl-3-propan-2-ylphenyl) benzoate
CID 87397213
[2-benzoyloxy-6-(2-methylpropyl)-3-phenylphenyl] benzoate
CID 67424921
(2-benzoyloxy-3,4-diethyl-6-propylphenyl) benzoate
CID 87398377
[2-benzoyloxy-6-ethyl-4-(2-methylpropyl)-3-propylphenyl] benzoate
CID 87397239
(2-benzoyloxy-3-ethyl-5-propan-2-ylphenyl) benzoate
CID 67424979
[2-benzoyloxy-3-ethyl-5-(2-methylpropyl)phenyl] benzoate
CID 67424956
(2-benzoyloxy-5-tert-butyl-3-phenylphenyl) benzoate
CID 67425020
(2,4,5-triphenyl-1H-pyrrol-3-yl) benzoate
CID 124780531
3-benzoyloxy-4-phenylbenzoic acid
CID 19859975
(5-benzoyloxy-4-ethyl-2-methylphenyl) benzoate
CID 58788729
(2-benzoyloxy-4-cyclohexyl-6-ethyl-3-propylphenyl) benzoate
CID 87398676

Frequently Asked Questions

What is the IUPAC name of (2-benzoyloxy-6-ethyl-3,4-diphenylphenyl) benzoate?
The IUPAC name of (2-benzoyloxy-6-ethyl-3,4-diphenylphenyl) benzoate (CID 87393935) is (2-benzoyloxy-6-ethyl-3,4-diphenylphenyl) benzoate.
What is the SMILES notation for (2-benzoyloxy-6-ethyl-3,4-diphenylphenyl) benzoate?
The canonical SMILES for (2-benzoyloxy-6-ethyl-3,4-diphenylphenyl) benzoate is CCc1cc(-c2ccccc2)c(-c2ccccc2)c(OC(=O)c2ccccc2)c1OC(=O)c1ccccc1.
What is the InChIKey of (2-benzoyloxy-6-ethyl-3,4-diphenylphenyl) benzoate?
The InChIKey is LSNXIPRDYXKFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26O4/c1-2-24-23-29(25-15-7-3-8-16-25)30(26-17-9-4-10-18-26)32(38-34(36)28-21-13-6-14-22-28)31(24)37-33(35)27-19-11-5-12-20-27/h3-23H,2H2,1H3.
What are the key properties of (2-benzoyloxy-6-ethyl-3,4-diphenylphenyl) benzoate?
(2-benzoyloxy-6-ethyl-3,4-diphenylphenyl) benzoate has a molecular weight of 498.58 g/mol, XLogP of 8.02, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzoyloxy-6-ethyl-3,4-diphenylphenyl) benzoate is sourced from PubChem (CID 87393935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).