diphenyl 3,6-bis[(4-methoxybenzoyl)oxy]benzene-1,2-dicarboxylate

C36H26O10 — CID 144750320

IUPACdiphenyl 3,6-bis[(4-methoxybenzoyl)oxy]benzene-1,2-dicarboxylate
SMILESCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OC)cc3)c(C(=O)Oc3ccccc3)c2C(=O)Oc2ccccc2)cc1
InChIInChI=1S/C36H26O10/c1-41-25-17-13-23(14-18-25)33(37)45-29-21-22-30(46-34(38)24-15-19-26(42-2)20-16-24)32(36(40)44-28-11-7-4-8-12-28)31(29)35(39)43-27-9-5-3-6-10-27/h3-22H,1-2H3
InChIKeyPXVLXFGAILRASH-UHFFFAOYSA-N
MW618.59 g/mol
LogP6.58
Rot. Bonds10

About diphenyl 3,6-bis[(4-methoxybenzoyl)oxy]benzene-1,2-dicarboxylate

diphenyl 3,6-bis[(4-methoxybenzoyl)oxy]benzene-1,2-dicarboxylate (PubChem CID 144750320) has the molecular formula C36H26O10 and a molecular weight of 618.59 g/mol. Its IUPAC name is diphenyl 3,6-bis[(4-methoxybenzoyl)oxy]benzene-1,2-dicarboxylate.

Molecular Properties

Compound Namediphenyl 3,6-bis[(4-methoxybenzoyl)oxy]benzene-1,2-dicarboxylate
PubChem CID144750320
Molecular FormulaC36H26O10
Molecular Weight618.59 g/mol
Exact Mass618.15
IUPAC Namediphenyl 3,6-bis[(4-methoxybenzoyl)oxy]benzene-1,2-dicarboxylate
SMILESCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OC)cc3)c(C(=O)Oc3ccccc3)c2C(=O)Oc2ccccc2)cc1
InChIInChI=1S/C36H26O10/c1-41-25-17-13-23(14-18-25)33(37)45-29-21-22-30(46-34(38)24-15-19-26(42-2)20-16-24)32(36(40)44-28-11-7-4-8-12-28)31(29)35(39)43-27-9-5-3-6-10-27/h3-22H,1-2H3
InChIKeyPXVLXFGAILRASH-UHFFFAOYSA-N
XLogP6.58
TPSA123.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.59
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze diphenyl 3,6-bis[(4-methoxybenzoyl)oxy]benzene-1,2-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-O-methyl 2-O-phenyl 3-(4-methoxybenzoyl)oxy-6-(3-methylbenzoyl)oxybenzene-1,2-dicarboxylate
CID 144750310
[4-(4-phenoxycarbonyloxyphenoxy)carbonylphenyl] 4-methoxybenzoate
CID 144750294
bis(1-benzoyl-7-methoxynaphthalen-2-yl) benzene-1,4-dicarboxylate
CID 139085404
anisole;methyl 4-methoxybenzoate
CID 158093995
[4-(4-methoxybenzoyl)oxyphenyl] 3,4-dimethoxybenzoate
CID 144750223
(4-methoxyphenyl) 3-chloro-4-(4-methoxybenzoyl)oxybenzoate
CID 118425827
[4-(4-methoxybenzoyl)oxyphenyl] 4-ethylbenzoate
CID 118103231
[4-[2-(4-methoxyphenyl)ethyl]phenyl] 4-methoxybenzoate
CID 145141089
methyl 3,6-bis[(4-methoxybenzoyl)oxy]-2-methylsulfanylcarbonylbenzoate
CID 144750322
(4-methoxyphenyl) 4-hydroxybenzoate
CID 578384
(4-methoxycarbonylphenyl) 4-phenoxybenzoate
CID 2677999
naphthalen-2-yl 4-methoxybenzoate
CID 532400

Frequently Asked Questions

What is the IUPAC name of diphenyl 3,6-bis[(4-methoxybenzoyl)oxy]benzene-1,2-dicarboxylate?
The IUPAC name of diphenyl 3,6-bis[(4-methoxybenzoyl)oxy]benzene-1,2-dicarboxylate (CID 144750320) is diphenyl 3,6-bis[(4-methoxybenzoyl)oxy]benzene-1,2-dicarboxylate.
What is the SMILES notation for diphenyl 3,6-bis[(4-methoxybenzoyl)oxy]benzene-1,2-dicarboxylate?
The canonical SMILES for diphenyl 3,6-bis[(4-methoxybenzoyl)oxy]benzene-1,2-dicarboxylate is COc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OC)cc3)c(C(=O)Oc3ccccc3)c2C(=O)Oc2ccccc2)cc1.
What is the InChIKey of diphenyl 3,6-bis[(4-methoxybenzoyl)oxy]benzene-1,2-dicarboxylate?
The InChIKey is PXVLXFGAILRASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26O10/c1-41-25-17-13-23(14-18-25)33(37)45-29-21-22-30(46-34(38)24-15-19-26(42-2)20-16-24)32(36(40)44-28-11-7-4-8-12-28)31(29)35(39)43-27-9-5-3-6-10-27/h3-22H,1-2H3.
What are the key properties of diphenyl 3,6-bis[(4-methoxybenzoyl)oxy]benzene-1,2-dicarboxylate?
diphenyl 3,6-bis[(4-methoxybenzoyl)oxy]benzene-1,2-dicarboxylate has a molecular weight of 618.59 g/mol, XLogP of 6.58, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl 3,6-bis[(4-methoxybenzoyl)oxy]benzene-1,2-dicarboxylate is sourced from PubChem (CID 144750320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).