(2-benzoyloxy-3-ethyl-5-propan-2-ylphenyl) benzoate

C25H24O4 — CID 67424979

IUPAC(2-benzoyloxy-3-ethyl-5-propan-2-ylphenyl) benzoate
SMILESCCc1cc(C(C)C)cc(OC(=O)c2ccccc2)c1OC(=O)c1ccccc1
InChIInChI=1S/C25H24O4/c1-4-18-15-21(17(2)3)16-22(28-24(26)19-11-7-5-8-12-19)23(18)29-25(27)20-13-9-6-10-14-20/h5-17H,4H2,1-3H3
InChIKeyOKJUCPFDHLWMIT-UHFFFAOYSA-N
MW388.46 g/mol
LogP5.81
Rot. Bonds6

About (2-benzoyloxy-3-ethyl-5-propan-2-ylphenyl) benzoate

(2-benzoyloxy-3-ethyl-5-propan-2-ylphenyl) benzoate (PubChem CID 67424979) has the molecular formula C25H24O4 and a molecular weight of 388.46 g/mol. Its IUPAC name is (2-benzoyloxy-3-ethyl-5-propan-2-ylphenyl) benzoate.

Molecular Properties

Compound Name(2-benzoyloxy-3-ethyl-5-propan-2-ylphenyl) benzoate
PubChem CID67424979
Molecular FormulaC25H24O4
Molecular Weight388.46 g/mol
Exact Mass388.17
IUPAC Name(2-benzoyloxy-3-ethyl-5-propan-2-ylphenyl) benzoate
SMILESCCc1cc(C(C)C)cc(OC(=O)c2ccccc2)c1OC(=O)c1ccccc1
InChIInChI=1S/C25H24O4/c1-4-18-15-21(17(2)3)16-22(28-24(26)19-11-7-5-8-12-19)23(18)29-25(27)20-13-9-6-10-14-20/h5-17H,4H2,1-3H3
InChIKeyOKJUCPFDHLWMIT-UHFFFAOYSA-N
XLogP5.81
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.46
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2-benzoyloxy-3-ethyl-5-propan-2-ylphenyl) benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-benzoyloxy-3-ethyl-5-(2-methylpropyl)phenyl] benzoate
CID 67424956
(2-benzoyloxy-4,6-diethyl-3-propan-2-ylphenyl) benzoate
CID 87397213
(2,6-dibromo-4-propan-2-ylphenyl) benzoate
CID 166101153
[2-benzoyloxy-6-ethyl-4-(2-methylpropyl)-3-propylphenyl] benzoate
CID 87397239
(5-benzoyloxy-4-ethyl-2-methylphenyl) benzoate
CID 58788729
(2-benzoyloxy-6-ethyl-3,4-diphenylphenyl) benzoate
CID 87393935
(2-ethoxyphenyl) 4-propan-2-ylbenzoate
CID 1406532
[2-benzoyloxy-3,4-di(propan-2-yl)-6-propylphenyl] benzoate
CID 87397433
3,4-dibenzoyloxy-5-methoxybenzoic acid
CID 90121898
(2-benzoyloxy-3,4-diethyl-6-propylphenyl) benzoate
CID 87398377
(4-ethyl-6-hydroxy-2-oxochromen-7-yl) benzoate
CID 176776956
(2-acetyl-4-ethylphenyl) benzoate
CID 11832389

Frequently Asked Questions

What is the IUPAC name of (2-benzoyloxy-3-ethyl-5-propan-2-ylphenyl) benzoate?
The IUPAC name of (2-benzoyloxy-3-ethyl-5-propan-2-ylphenyl) benzoate (CID 67424979) is (2-benzoyloxy-3-ethyl-5-propan-2-ylphenyl) benzoate.
What is the SMILES notation for (2-benzoyloxy-3-ethyl-5-propan-2-ylphenyl) benzoate?
The canonical SMILES for (2-benzoyloxy-3-ethyl-5-propan-2-ylphenyl) benzoate is CCc1cc(C(C)C)cc(OC(=O)c2ccccc2)c1OC(=O)c1ccccc1.
What is the InChIKey of (2-benzoyloxy-3-ethyl-5-propan-2-ylphenyl) benzoate?
The InChIKey is OKJUCPFDHLWMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24O4/c1-4-18-15-21(17(2)3)16-22(28-24(26)19-11-7-5-8-12-19)23(18)29-25(27)20-13-9-6-10-14-20/h5-17H,4H2,1-3H3.
What are the key properties of (2-benzoyloxy-3-ethyl-5-propan-2-ylphenyl) benzoate?
(2-benzoyloxy-3-ethyl-5-propan-2-ylphenyl) benzoate has a molecular weight of 388.46 g/mol, XLogP of 5.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzoyloxy-3-ethyl-5-propan-2-ylphenyl) benzoate is sourced from PubChem (CID 67424979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).