[4-(4-phenoxycarbonyloxyphenoxy)carbonylphenyl] 4-methoxybenzoate

C28H20O8 — CID 144750294

IUPAC[4-(4-phenoxycarbonyloxyphenoxy)carbonylphenyl] 4-methoxybenzoate
SMILESCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(OC(=O)Oc4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C28H20O8/c1-32-21-11-7-19(8-12-21)26(29)33-23-13-9-20(10-14-23)27(30)34-24-15-17-25(18-16-24)36-28(31)35-22-5-3-2-4-6-22/h2-18H,1H3
InChIKeyFAXBQZNSGURZMS-UHFFFAOYSA-N
MW484.46 g/mol
LogP5.71
Rot. Bonds7

About [4-(4-phenoxycarbonyloxyphenoxy)carbonylphenyl] 4-methoxybenzoate

[4-(4-phenoxycarbonyloxyphenoxy)carbonylphenyl] 4-methoxybenzoate (PubChem CID 144750294) has the molecular formula C28H20O8 and a molecular weight of 484.46 g/mol. Its IUPAC name is [4-(4-phenoxycarbonyloxyphenoxy)carbonylphenyl] 4-methoxybenzoate.

Molecular Properties

Compound Name[4-(4-phenoxycarbonyloxyphenoxy)carbonylphenyl] 4-methoxybenzoate
PubChem CID144750294
Molecular FormulaC28H20O8
Molecular Weight484.46 g/mol
Exact Mass484.12
IUPAC Name[4-(4-phenoxycarbonyloxyphenoxy)carbonylphenyl] 4-methoxybenzoate
SMILESCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(OC(=O)Oc4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C28H20O8/c1-32-21-11-7-19(8-12-21)26(29)33-23-13-9-20(10-14-23)27(30)34-24-15-17-25(18-16-24)36-28(31)35-22-5-3-2-4-6-22/h2-18H,1H3
InChIKeyFAXBQZNSGURZMS-UHFFFAOYSA-N
XLogP5.71
TPSA97.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.46
LogP ≤ 55.71
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

diphenyl 3,6-bis[(4-methoxybenzoyl)oxy]benzene-1,2-dicarboxylate
CID 144750320
bis[4-[2-(4-phenoxycarbonyloxyphenyl)propan-2-yl]phenyl] benzene-1,4-dicarboxylate
CID 102500670
anisole;methyl 4-methoxybenzoate
CID 158093995
[4-[2-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]carbonyloxyphenyl]propan-2-yl]phenyl] benzoate;phenyl acetate;propan-2-one
CID 159781668
(4-methoxyphenyl) 4-hydroxybenzoate
CID 578384
[4-(4-methoxycarbonyloxybenzoyl)oxyphenyl] 4-methoxycarbonyloxybenzoate
CID 54385395
(4-methoxycarbonylphenyl) 4-phenoxybenzoate
CID 2677999
naphthalen-2-yl 4-methoxybenzoate
CID 532400
(4-chlorophenyl) 4-methoxybenzoate
CID 532395
bis[4-(2-oxo-2-phenylacetyl)phenyl] benzene-1,4-dicarboxylate
CID 4643274
[4-(4-methoxybenzoyl)oxyphenyl] 4-ethylbenzoate
CID 118103231
[4-[1,2,2-tris[4-(4-methoxybenzoyl)oxyphenyl]ethyl]phenyl] 4-methoxybenzoate
CID 90143826

Frequently Asked Questions

What is the IUPAC name of [4-(4-phenoxycarbonyloxyphenoxy)carbonylphenyl] 4-methoxybenzoate?
The IUPAC name of [4-(4-phenoxycarbonyloxyphenoxy)carbonylphenyl] 4-methoxybenzoate (CID 144750294) is [4-(4-phenoxycarbonyloxyphenoxy)carbonylphenyl] 4-methoxybenzoate.
What is the SMILES notation for [4-(4-phenoxycarbonyloxyphenoxy)carbonylphenyl] 4-methoxybenzoate?
The canonical SMILES for [4-(4-phenoxycarbonyloxyphenoxy)carbonylphenyl] 4-methoxybenzoate is COc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(OC(=O)Oc4ccccc4)cc3)cc2)cc1.
What is the InChIKey of [4-(4-phenoxycarbonyloxyphenoxy)carbonylphenyl] 4-methoxybenzoate?
The InChIKey is FAXBQZNSGURZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20O8/c1-32-21-11-7-19(8-12-21)26(29)33-23-13-9-20(10-14-23)27(30)34-24-15-17-25(18-16-24)36-28(31)35-22-5-3-2-4-6-22/h2-18H,1H3.
What are the key properties of [4-(4-phenoxycarbonyloxyphenoxy)carbonylphenyl] 4-methoxybenzoate?
[4-(4-phenoxycarbonyloxyphenoxy)carbonylphenyl] 4-methoxybenzoate has a molecular weight of 484.46 g/mol, XLogP of 5.71, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-phenoxycarbonyloxyphenoxy)carbonylphenyl] 4-methoxybenzoate is sourced from PubChem (CID 144750294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).