[4-(4-methoxycarbonyloxybenzoyl)oxyphenyl] 4-ethoxybenzoate

C24H20O8 — CID 58003994

IUPAC[4-(4-methoxycarbonyloxybenzoyl)oxyphenyl] 4-ethoxybenzoate
SMILESCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OC(=O)OC)cc3)cc2)cc1
InChIInChI=1S/C24H20O8/c1-3-29-18-8-4-16(5-9-18)22(25)30-19-12-14-20(15-13-19)31-23(26)17-6-10-21(11-7-17)32-24(27)28-2/h4-15H,3H2,1-2H3
InChIKeyVIMGFUWRLYXNQI-UHFFFAOYSA-N
MW436.42 g/mol
LogP4.67
Rot. Bonds7

About [4-(4-methoxycarbonyloxybenzoyl)oxyphenyl] 4-ethoxybenzoate

[4-(4-methoxycarbonyloxybenzoyl)oxyphenyl] 4-ethoxybenzoate (PubChem CID 58003994) has the molecular formula C24H20O8 and a molecular weight of 436.42 g/mol. Its IUPAC name is [4-(4-methoxycarbonyloxybenzoyl)oxyphenyl] 4-ethoxybenzoate.

Molecular Properties

Compound Name[4-(4-methoxycarbonyloxybenzoyl)oxyphenyl] 4-ethoxybenzoate
PubChem CID58003994
Molecular FormulaC24H20O8
Molecular Weight436.42 g/mol
Exact Mass436.12
IUPAC Name[4-(4-methoxycarbonyloxybenzoyl)oxyphenyl] 4-ethoxybenzoate
SMILESCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OC(=O)OC)cc3)cc2)cc1
InChIInChI=1S/C24H20O8/c1-3-29-18-8-4-16(5-9-18)22(25)30-19-12-14-20(15-13-19)31-23(26)17-6-10-21(11-7-17)32-24(27)28-2/h4-15H,3H2,1-2H3
InChIKeyVIMGFUWRLYXNQI-UHFFFAOYSA-N
XLogP4.67
TPSA97.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.42
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(4-ethoxyphenyl) 4-methoxycarbonyloxybenzoate
CID 14534505
[4-(4-methoxycarbonyloxybenzoyl)oxyphenyl] 4-methoxycarbonyloxybenzoate
CID 54385395
(4-methoxyphenyl) 4-ethoxybenzoate
CID 23011327
(4-propan-2-yloxycarbonylphenyl) 4-ethoxybenzoate
CID 17160880
(4-ethoxyphenyl) 4-carboxyoxybenzoate
CID 68508169
(4-ethoxyphenyl) 4-(2-methylbutyl)benzoate
CID 91726746
methyl 4-methoxycarbonyloxybenzoate
CID 584598
[4-[3-[4-(4-ethoxybenzoyl)oxybenzoyl]oxyphenoxy]carbonylphenyl] 4-ethoxybenzoate
CID 143295267
[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]oxyphenyl] 4-ethoxybenzoate
CID 170254641
[4-[2-[2-[4-(4-ethoxybenzoyl)oxybenzoyl]oxyethoxy]ethoxycarbonyl]phenyl] 4-ethoxybenzoate
CID 101052638
(4-methoxycarbonylphenyl) 4-butoxybenzoate
CID 2833476
[4-[(E)-hydroxyiminomethyl]phenyl] 4-ethoxybenzoate
CID 177398517

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxycarbonyloxybenzoyl)oxyphenyl] 4-ethoxybenzoate?
The IUPAC name of [4-(4-methoxycarbonyloxybenzoyl)oxyphenyl] 4-ethoxybenzoate (CID 58003994) is [4-(4-methoxycarbonyloxybenzoyl)oxyphenyl] 4-ethoxybenzoate.
What is the SMILES notation for [4-(4-methoxycarbonyloxybenzoyl)oxyphenyl] 4-ethoxybenzoate?
The canonical SMILES for [4-(4-methoxycarbonyloxybenzoyl)oxyphenyl] 4-ethoxybenzoate is CCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OC(=O)OC)cc3)cc2)cc1.
What is the InChIKey of [4-(4-methoxycarbonyloxybenzoyl)oxyphenyl] 4-ethoxybenzoate?
The InChIKey is VIMGFUWRLYXNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O8/c1-3-29-18-8-4-16(5-9-18)22(25)30-19-12-14-20(15-13-19)31-23(26)17-6-10-21(11-7-17)32-24(27)28-2/h4-15H,3H2,1-2H3.
What are the key properties of [4-(4-methoxycarbonyloxybenzoyl)oxyphenyl] 4-ethoxybenzoate?
[4-(4-methoxycarbonyloxybenzoyl)oxyphenyl] 4-ethoxybenzoate has a molecular weight of 436.42 g/mol, XLogP of 4.67, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxycarbonyloxybenzoyl)oxyphenyl] 4-ethoxybenzoate is sourced from PubChem (CID 58003994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).