[4-[4-(2-methoxyethyl)benzoyl]oxyphenyl] 4-(2-methoxyethyl)benzoate

C26H26O6 — CID 58090360

IUPAC[4-[4-(2-methoxyethyl)benzoyl]oxyphenyl] 4-(2-methoxyethyl)benzoate
SMILESCOCCc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(CCOC)cc3)cc2)cc1
InChIInChI=1S/C26H26O6/c1-29-17-15-19-3-7-21(8-4-19)25(27)31-23-11-13-24(14-12-23)32-26(28)22-9-5-20(6-10-22)16-18-30-2/h3-14H,15-18H2,1-2H3
InChIKeyZIZXJZDXIVEJHG-UHFFFAOYSA-N
MW434.49 g/mol
LogP4.50
Rot. Bonds10

About [4-[4-(2-methoxyethyl)benzoyl]oxyphenyl] 4-(2-methoxyethyl)benzoate

[4-[4-(2-methoxyethyl)benzoyl]oxyphenyl] 4-(2-methoxyethyl)benzoate (PubChem CID 58090360) has the molecular formula C26H26O6 and a molecular weight of 434.49 g/mol. Its IUPAC name is [4-[4-(2-methoxyethyl)benzoyl]oxyphenyl] 4-(2-methoxyethyl)benzoate.

Molecular Properties

Compound Name[4-[4-(2-methoxyethyl)benzoyl]oxyphenyl] 4-(2-methoxyethyl)benzoate
PubChem CID58090360
Molecular FormulaC26H26O6
Molecular Weight434.49 g/mol
Exact Mass434.17
IUPAC Name[4-[4-(2-methoxyethyl)benzoyl]oxyphenyl] 4-(2-methoxyethyl)benzoate
SMILESCOCCc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(CCOC)cc3)cc2)cc1
InChIInChI=1S/C26H26O6/c1-29-17-15-19-3-7-21(8-4-19)25(27)31-23-11-13-24(14-12-23)32-26(28)22-9-5-20(6-10-22)16-18-30-2/h3-14H,15-18H2,1-2H3
InChIKeyZIZXJZDXIVEJHG-UHFFFAOYSA-N
XLogP4.50
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[4-[2-(4-methoxyphenyl)ethyl]phenyl] 4-methoxybenzoate
CID 145141089
[4-(2-methoxyethyl)phenyl] 4-(diethylsulfamoyl)benzoate
CID 8867429
[4-(2-methoxyethyl)phenyl] 4-(azepan-1-ylsulfonyl)benzoate
CID 8867436
2-methoxyethyl 4-benzoyloxybenzoate
CID 17162027
bis(4-butylphenyl) benzene-1,4-dicarboxylate
CID 624550
[4-(2-methoxyethyl)phenyl] 3-methyl-4-nitrobenzoate
CID 8867383
bis[4-[2-(2-methylprop-2-enoyloxy)ethyl]phenyl] benzene-1,4-dicarboxylate
CID 129197747
[4-(4-propylphenyl)phenyl] 4-propylbenzoate
CID 54214420
(4-propoxycarbonylphenyl) 4-propylbenzoate
CID 54267228
[4-(2-prop-2-enoyloxyethyl)phenyl] 4-methoxybenzoate
CID 145097179
[4-(4-methoxybenzoyl)oxyphenyl] 4-ethylbenzoate
CID 118103231
(4-propylphenyl) 4-bromobenzoate
CID 19184745

Frequently Asked Questions

What is the IUPAC name of [4-[4-(2-methoxyethyl)benzoyl]oxyphenyl] 4-(2-methoxyethyl)benzoate?
The IUPAC name of [4-[4-(2-methoxyethyl)benzoyl]oxyphenyl] 4-(2-methoxyethyl)benzoate (CID 58090360) is [4-[4-(2-methoxyethyl)benzoyl]oxyphenyl] 4-(2-methoxyethyl)benzoate.
What is the SMILES notation for [4-[4-(2-methoxyethyl)benzoyl]oxyphenyl] 4-(2-methoxyethyl)benzoate?
The canonical SMILES for [4-[4-(2-methoxyethyl)benzoyl]oxyphenyl] 4-(2-methoxyethyl)benzoate is COCCc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(CCOC)cc3)cc2)cc1.
What is the InChIKey of [4-[4-(2-methoxyethyl)benzoyl]oxyphenyl] 4-(2-methoxyethyl)benzoate?
The InChIKey is ZIZXJZDXIVEJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26O6/c1-29-17-15-19-3-7-21(8-4-19)25(27)31-23-11-13-24(14-12-23)32-26(28)22-9-5-20(6-10-22)16-18-30-2/h3-14H,15-18H2,1-2H3.
What are the key properties of [4-[4-(2-methoxyethyl)benzoyl]oxyphenyl] 4-(2-methoxyethyl)benzoate?
[4-[4-(2-methoxyethyl)benzoyl]oxyphenyl] 4-(2-methoxyethyl)benzoate has a molecular weight of 434.49 g/mol, XLogP of 4.50, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(2-methoxyethyl)benzoyl]oxyphenyl] 4-(2-methoxyethyl)benzoate is sourced from PubChem (CID 58090360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).