[4-(2-ethoxyethoxycarbonyl)phenyl] 4-phenylbenzoate

C24H22O5 — CID 17160391

IUPAC[4-(2-ethoxyethoxycarbonyl)phenyl] 4-phenylbenzoate
SMILESCCOCCOC(=O)c1ccc(OC(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C24H22O5/c1-2-27-16-17-28-23(25)20-12-14-22(15-13-20)29-24(26)21-10-8-19(9-11-21)18-6-4-3-5-7-18/h3-15H,2,16-17H2,1H3
InChIKeyJXNJSKVEAAFFMV-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.77
Rot. Bonds8

About [4-(2-ethoxyethoxycarbonyl)phenyl] 4-phenylbenzoate

[4-(2-ethoxyethoxycarbonyl)phenyl] 4-phenylbenzoate (PubChem CID 17160391) has the molecular formula C24H22O5 and a molecular weight of 390.44 g/mol. Its IUPAC name is [4-(2-ethoxyethoxycarbonyl)phenyl] 4-phenylbenzoate.

Molecular Properties

Compound Name[4-(2-ethoxyethoxycarbonyl)phenyl] 4-phenylbenzoate
PubChem CID17160391
Molecular FormulaC24H22O5
Molecular Weight390.44 g/mol
Exact Mass390.15
IUPAC Name[4-(2-ethoxyethoxycarbonyl)phenyl] 4-phenylbenzoate
SMILESCCOCCOC(=O)c1ccc(OC(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C24H22O5/c1-2-27-16-17-28-23(25)20-12-14-22(15-13-20)29-24(26)21-10-8-19(9-11-21)18-6-4-3-5-7-18/h3-15H,2,16-17H2,1H3
InChIKeyJXNJSKVEAAFFMV-UHFFFAOYSA-N
XLogP4.77
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [4-(2-ethoxyethoxycarbonyl)phenyl] 4-phenylbenzoate 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

[4-(3-phenylpropoxycarbonyl)phenyl] 4-(2-ethoxyethoxy)benzoate
CID 17138048
2-ethoxyethyl 4-phenylbenzenecarboperoxoate
CID 173267525
1-O-[2-(4-phenoxycarbonylbenzoyl)oxyethyl] 4-O-phenyl benzene-1,4-dicarboxylate
CID 154278572
[4-(2-ethoxyethoxycarbonyl)phenyl] 2-bromobenzoate
CID 17160400
[4-[2-[2-[4-(4-ethoxybenzoyl)oxybenzoyl]oxyethoxy]ethoxycarbonyl]phenyl] 4-ethoxybenzoate
CID 101052638
decyl 4-(4-benzoyloxyphenyl)benzoate
CID 102207289
2-methoxyethyl 4-benzoyloxybenzoate
CID 17162027
(4-phenylmethoxycarbonylphenyl) 4-phenylbenzoate
CID 19181931
(4-phenylphenyl) 4-nonoxybenzoate
CID 71386628
1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate
CID 174703430
(4-ethoxycarbonylphenyl) 4-(4-propylphenyl)benzoate
CID 59917202
[4-(2-phenoxyethoxycarbonyl)phenyl] 4-(2-methoxyethoxy)benzoate
CID 17151540

Frequently Asked Questions

What is the IUPAC name of [4-(2-ethoxyethoxycarbonyl)phenyl] 4-phenylbenzoate?
The IUPAC name of [4-(2-ethoxyethoxycarbonyl)phenyl] 4-phenylbenzoate (CID 17160391) is [4-(2-ethoxyethoxycarbonyl)phenyl] 4-phenylbenzoate.
What is the SMILES notation for [4-(2-ethoxyethoxycarbonyl)phenyl] 4-phenylbenzoate?
The canonical SMILES for [4-(2-ethoxyethoxycarbonyl)phenyl] 4-phenylbenzoate is CCOCCOC(=O)c1ccc(OC(=O)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of [4-(2-ethoxyethoxycarbonyl)phenyl] 4-phenylbenzoate?
The InChIKey is JXNJSKVEAAFFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O5/c1-2-27-16-17-28-23(25)20-12-14-22(15-13-20)29-24(26)21-10-8-19(9-11-21)18-6-4-3-5-7-18/h3-15H,2,16-17H2,1H3.
What are the key properties of [4-(2-ethoxyethoxycarbonyl)phenyl] 4-phenylbenzoate?
[4-(2-ethoxyethoxycarbonyl)phenyl] 4-phenylbenzoate has a molecular weight of 390.44 g/mol, XLogP of 4.77, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethoxyethoxycarbonyl)phenyl] 4-phenylbenzoate is sourced from PubChem (CID 17160391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).