bis(4-methoxycarbonylphenyl) oxalate

C18H14O8 — CID 70400946

IUPACbis(4-methoxycarbonylphenyl) oxalate
SMILESCOC(=O)c1ccc(OC(=O)C(=O)Oc2ccc(C(=O)OC)cc2)cc1
InChIInChI=1S/C18H14O8/c1-23-15(19)11-3-7-13(8-4-11)25-17(21)18(22)26-14-9-5-12(6-10-14)16(20)24-2/h3-10H,1-2H3
InChIKeyGFIHIIMYYOFZLX-UHFFFAOYSA-N
MW358.30 g/mol
LogP1.77
Rot. Bonds4

About bis(4-methoxycarbonylphenyl) oxalate

bis(4-methoxycarbonylphenyl) oxalate (PubChem CID 70400946) has the molecular formula C18H14O8 and a molecular weight of 358.30 g/mol. Its IUPAC name is bis(4-methoxycarbonylphenyl) oxalate.

Molecular Properties

Compound Namebis(4-methoxycarbonylphenyl) oxalate
PubChem CID70400946
Molecular FormulaC18H14O8
Molecular Weight358.30 g/mol
Exact Mass358.07
IUPAC Namebis(4-methoxycarbonylphenyl) oxalate
SMILESCOC(=O)c1ccc(OC(=O)C(=O)Oc2ccc(C(=O)OC)cc2)cc1
InChIInChI=1S/C18H14O8/c1-23-15(19)11-3-7-13(8-4-11)25-17(21)18(22)26-14-9-5-12(6-10-14)16(20)24-2/h3-10H,1-2H3
InChIKeyGFIHIIMYYOFZLX-UHFFFAOYSA-N
XLogP1.77
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.30
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-methoxycarbonyloxybenzoate
CID 584598
methyl 4-(4-methoxycarbonylphenoxy)carbothioyloxybenzoate
CID 14022563
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
methyl 4-(4-chlorobenzoyl)oxybenzoate
CID 4943503
methyl 4-prop-2-enoyloxybenzoate
CID 18402609
[4-(4-methoxycarbonylphenoxy)carbonylphenyl] 4-(4-methylphenyl)benzoate
CID 59024973
(4-methoxycarbonylphenyl) 4-phenoxybenzoate
CID 2677999
(4-methoxycarbonylphenyl) 4-acetamidobenzoate
CID 7761360
[4-(4-methoxycarbonyloxybenzoyl)oxyphenyl] 4-methoxycarbonyloxybenzoate
CID 54385395
methyl 4-[4-(4-methoxyphenoxy)phenoxy]benzoate
CID 10315855
dimethyl benzene-1,4-dicarboxylate;urea
CID 138489958

Frequently Asked Questions

What is the IUPAC name of bis(4-methoxycarbonylphenyl) oxalate?
The IUPAC name of bis(4-methoxycarbonylphenyl) oxalate (CID 70400946) is bis(4-methoxycarbonylphenyl) oxalate.
What is the SMILES notation for bis(4-methoxycarbonylphenyl) oxalate?
The canonical SMILES for bis(4-methoxycarbonylphenyl) oxalate is COC(=O)c1ccc(OC(=O)C(=O)Oc2ccc(C(=O)OC)cc2)cc1.
What is the InChIKey of bis(4-methoxycarbonylphenyl) oxalate?
The InChIKey is GFIHIIMYYOFZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O8/c1-23-15(19)11-3-7-13(8-4-11)25-17(21)18(22)26-14-9-5-12(6-10-14)16(20)24-2/h3-10H,1-2H3.
What are the key properties of bis(4-methoxycarbonylphenyl) oxalate?
bis(4-methoxycarbonylphenyl) oxalate has a molecular weight of 358.30 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-methoxycarbonylphenyl) oxalate is sourced from PubChem (CID 70400946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).