[4-[4-(4-ethylbenzoyl)oxy-2,3,5,6-tetramethylphenyl]-2,3,5,6-tetramethylphenyl] 4-ethylbenzoate

C38H42O4 — CID 59281821

IUPAC[4-[4-(4-ethylbenzoyl)oxy-2,3,5,6-tetramethylphenyl]-2,3,5,6-tetramethylphenyl] 4-ethylbenzoate
SMILESCCc1ccc(C(=O)Oc2c(C)c(C)c(-c3c(C)c(C)c(OC(=O)c4ccc(CC)cc4)c(C)c3C)c(C)c2C)cc1
InChIInChI=1S/C38H42O4/c1-11-29-13-17-31(18-14-29)37(39)41-35-25(7)21(3)33(22(4)26(35)8)34-23(5)27(9)36(28(10)24(34)6)42-38(40)32-19-15-30(12-2)16-20-32/h13-20H,11-12H2,1-10H3
InChIKeyNTHQFFMXLFIHCF-UHFFFAOYSA-N
MW562.75 g/mol
LogP9.38
Rot. Bonds7

About [4-[4-(4-ethylbenzoyl)oxy-2,3,5,6-tetramethylphenyl]-2,3,5,6-tetramethylphenyl] 4-ethylbenzoate

[4-[4-(4-ethylbenzoyl)oxy-2,3,5,6-tetramethylphenyl]-2,3,5,6-tetramethylphenyl] 4-ethylbenzoate (PubChem CID 59281821) has the molecular formula C38H42O4 and a molecular weight of 562.75 g/mol. Its IUPAC name is [4-[4-(4-ethylbenzoyl)oxy-2,3,5,6-tetramethylphenyl]-2,3,5,6-tetramethylphenyl] 4-ethylbenzoate.

Molecular Properties

Compound Name[4-[4-(4-ethylbenzoyl)oxy-2,3,5,6-tetramethylphenyl]-2,3,5,6-tetramethylphenyl] 4-ethylbenzoate
PubChem CID59281821
Molecular FormulaC38H42O4
Molecular Weight562.75 g/mol
Exact Mass562.31
IUPAC Name[4-[4-(4-ethylbenzoyl)oxy-2,3,5,6-tetramethylphenyl]-2,3,5,6-tetramethylphenyl] 4-ethylbenzoate
SMILESCCc1ccc(C(=O)Oc2c(C)c(C)c(-c3c(C)c(C)c(OC(=O)c4ccc(CC)cc4)c(C)c3C)c(C)c2C)cc1
InChIInChI=1S/C38H42O4/c1-11-29-13-17-31(18-14-29)37(39)41-35-25(7)21(3)33(22(4)26(35)8)34-23(5)27(9)36(28(10)24(34)6)42-38(40)32-19-15-30(12-2)16-20-32/h13-20H,11-12H2,1-10H3
InChIKeyNTHQFFMXLFIHCF-UHFFFAOYSA-N
XLogP9.38
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.75
LogP ≤ 59.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [4-[4-(4-ethylbenzoyl)oxy-2,3,5,6-tetramethylphenyl]-2,3,5,6-tetramethylphenyl] 4-ethylbenzoate 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-(4-methoxybenzoyl)oxyphenyl] 4-ethylbenzoate
CID 118103231
[6-(4-ethylbenzoyl)oxynaphthalen-2-yl] 4-ethylbenzoate
CID 59281890
(4-ethylphenyl) 4-chlorobenzoate
CID 695931
(2-bromo-4-methylphenyl) 4-ethylbenzoate
CID 19225901
(2-chlorophenyl) 4-ethylbenzoate
CID 583746
propan-2-yl 4-ethylbenzoate
CID 583760
(4-ethylphenyl) 4-propan-2-ylbenzoate
CID 1406527
4-ethylbenzoyl iodide
CID 89147367
(4-methoxy-3-methylphenyl) 4-ethylbenzoate
CID 145123252
(4-prop-2-enoylphenyl) 4-ethylbenzoate
CID 123505415
(2,3-dichlorophenyl) 4-ethylbenzoate
CID 91714670
(2,3,4,5,6-pentafluorophenyl) 4-(bromomethyl)benzoate
CID 86091811

Frequently Asked Questions

What is the IUPAC name of [4-[4-(4-ethylbenzoyl)oxy-2,3,5,6-tetramethylphenyl]-2,3,5,6-tetramethylphenyl] 4-ethylbenzoate?
The IUPAC name of [4-[4-(4-ethylbenzoyl)oxy-2,3,5,6-tetramethylphenyl]-2,3,5,6-tetramethylphenyl] 4-ethylbenzoate (CID 59281821) is [4-[4-(4-ethylbenzoyl)oxy-2,3,5,6-tetramethylphenyl]-2,3,5,6-tetramethylphenyl] 4-ethylbenzoate.
What is the SMILES notation for [4-[4-(4-ethylbenzoyl)oxy-2,3,5,6-tetramethylphenyl]-2,3,5,6-tetramethylphenyl] 4-ethylbenzoate?
The canonical SMILES for [4-[4-(4-ethylbenzoyl)oxy-2,3,5,6-tetramethylphenyl]-2,3,5,6-tetramethylphenyl] 4-ethylbenzoate is CCc1ccc(C(=O)Oc2c(C)c(C)c(-c3c(C)c(C)c(OC(=O)c4ccc(CC)cc4)c(C)c3C)c(C)c2C)cc1.
What is the InChIKey of [4-[4-(4-ethylbenzoyl)oxy-2,3,5,6-tetramethylphenyl]-2,3,5,6-tetramethylphenyl] 4-ethylbenzoate?
The InChIKey is NTHQFFMXLFIHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H42O4/c1-11-29-13-17-31(18-14-29)37(39)41-35-25(7)21(3)33(22(4)26(35)8)34-23(5)27(9)36(28(10)24(34)6)42-38(40)32-19-15-30(12-2)16-20-32/h13-20H,11-12H2,1-10H3.
What are the key properties of [4-[4-(4-ethylbenzoyl)oxy-2,3,5,6-tetramethylphenyl]-2,3,5,6-tetramethylphenyl] 4-ethylbenzoate?
[4-[4-(4-ethylbenzoyl)oxy-2,3,5,6-tetramethylphenyl]-2,3,5,6-tetramethylphenyl] 4-ethylbenzoate has a molecular weight of 562.75 g/mol, XLogP of 9.38, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(4-ethylbenzoyl)oxy-2,3,5,6-tetramethylphenyl]-2,3,5,6-tetramethylphenyl] 4-ethylbenzoate is sourced from PubChem (CID 59281821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).