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

C24H18O10 — CID 54385395

IUPAC[4-(4-methoxycarbonyloxybenzoyl)oxyphenyl] 4-methoxycarbonyloxybenzoate
SMILESCOC(=O)Oc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OC(=O)OC)cc3)cc2)cc1
InChIInChI=1S/C24H18O10/c1-29-23(27)33-19-7-3-15(4-8-19)21(25)31-17-11-13-18(14-12-17)32-22(26)16-5-9-20(10-6-16)34-24(28)30-2/h3-14H,1-2H3
InChIKeyVCWICMLDTIATGS-UHFFFAOYSA-N
MW466.40 g/mol
LogP4.42
Rot. Bonds6

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

[4-(4-methoxycarbonyloxybenzoyl)oxyphenyl] 4-methoxycarbonyloxybenzoate (PubChem CID 54385395) has the molecular formula C24H18O10 and a molecular weight of 466.40 g/mol. Its IUPAC name is [4-(4-methoxycarbonyloxybenzoyl)oxyphenyl] 4-methoxycarbonyloxybenzoate.

Molecular Properties

Compound Name[4-(4-methoxycarbonyloxybenzoyl)oxyphenyl] 4-methoxycarbonyloxybenzoate
PubChem CID54385395
Molecular FormulaC24H18O10
Molecular Weight466.40 g/mol
Exact Mass466.09
IUPAC Name[4-(4-methoxycarbonyloxybenzoyl)oxyphenyl] 4-methoxycarbonyloxybenzoate
SMILESCOC(=O)Oc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OC(=O)OC)cc3)cc2)cc1
InChIInChI=1S/C24H18O10/c1-29-23(27)33-19-7-3-15(4-8-19)21(25)31-17-11-13-18(14-12-17)32-22(26)16-5-9-20(10-6-16)34-24(28)30-2/h3-14H,1-2H3
InChIKeyVCWICMLDTIATGS-UHFFFAOYSA-N
XLogP4.42
TPSA123.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.40
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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

methyl 4-methoxycarbonyloxybenzoate
CID 584598
[4-(4-methoxycarbonyloxybenzoyl)oxyphenyl] 4-ethoxybenzoate
CID 58003994
(4-ethoxyphenyl) 4-methoxycarbonyloxybenzoate
CID 14534505
[4-[1,2,2-tris[4-(4-methoxybenzoyl)oxyphenyl]ethyl]phenyl] 4-methoxybenzoate
CID 90143826
[4-(4-methoxycarbonyloxyphenoxy)phenyl] methyl carbonate
CID 22123751
4-[4-(4-methoxycarbonylphenoxy)carbonylbenzoyl]oxybenzoic acid
CID 130452470
1-O-methyl 4-O-[4-(4-propan-2-yloxycarbonylbenzoyl)oxyphenyl] benzene-1,4-dicarboxylate
CID 142623829
[4-(4-phenoxycarbonyloxyphenoxy)carbonylphenyl] 4-methoxybenzoate
CID 144750294
(4-methoxycarbonylphenyl) 4-acetamidobenzoate
CID 7761360
methyl 4-(4-chlorobenzoyl)oxybenzoate
CID 4943503
4-(4-methoxycarbonyloxyphenyl)benzoic acid
CID 18328408
[4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate
CID 576898

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxycarbonyloxybenzoyl)oxyphenyl] 4-methoxycarbonyloxybenzoate?
The IUPAC name of [4-(4-methoxycarbonyloxybenzoyl)oxyphenyl] 4-methoxycarbonyloxybenzoate (CID 54385395) is [4-(4-methoxycarbonyloxybenzoyl)oxyphenyl] 4-methoxycarbonyloxybenzoate.
What is the SMILES notation for [4-(4-methoxycarbonyloxybenzoyl)oxyphenyl] 4-methoxycarbonyloxybenzoate?
The canonical SMILES for [4-(4-methoxycarbonyloxybenzoyl)oxyphenyl] 4-methoxycarbonyloxybenzoate is COC(=O)Oc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OC(=O)OC)cc3)cc2)cc1.
What is the InChIKey of [4-(4-methoxycarbonyloxybenzoyl)oxyphenyl] 4-methoxycarbonyloxybenzoate?
The InChIKey is VCWICMLDTIATGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O10/c1-29-23(27)33-19-7-3-15(4-8-19)21(25)31-17-11-13-18(14-12-17)32-22(26)16-5-9-20(10-6-16)34-24(28)30-2/h3-14H,1-2H3.
What are the key properties of [4-(4-methoxycarbonyloxybenzoyl)oxyphenyl] 4-methoxycarbonyloxybenzoate?
[4-(4-methoxycarbonyloxybenzoyl)oxyphenyl] 4-methoxycarbonyloxybenzoate has a molecular weight of 466.40 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxycarbonyloxybenzoyl)oxyphenyl] 4-methoxycarbonyloxybenzoate is sourced from PubChem (CID 54385395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).