[4-[4-[4-[4-[4-(2,5-dimethoxy-4-phenylmethoxybenzoyl)oxyphenyl]benzoyl]oxyphenoxy]carbonylphenyl]phenyl] 2,5-dimethoxy-4-phenylmethoxybenzoate

C64H50O14 — CID 59769008

IUPAC[4-[4-[4-[4-[4-(2,5-dimethoxy-4-phenylmethoxybenzoyl)oxyphenyl]benzoyl]oxyphenoxy]carbonylphenyl]phenyl] 2,5-dimethoxy-4-phenylmethoxybenzoate
SMILESCOc1cc(C(=O)Oc2ccc(-c3ccc(C(=O)Oc4ccc(OC(=O)c5ccc(-c6ccc(OC(=O)c7cc(OC)c(OCc8ccccc8)cc7OC)cc6)cc5)cc4)cc3)cc2)c(OC)cc1OCc1ccccc1
InChIInChI=1S/C64H50O14/c1-69-55-37-59(73-39-41-11-7-5-8-12-41)57(71-3)35-53(55)63(67)77-49-27-23-45(24-28-49)43-15-19-47(20-16-43)61(65)75-51-31-33-52(34-32-51)76-62(66)48-21-17-44(18-22-48)46-25-29-50(30-26-46)78-64(68)54-36-58(72-4)60(38-56(54)70-2)74-40-42-13-9-6-10-14-42/h5-38H,39-40H2,1-4H3
InChIKeySROSJTPYGFSEDF-UHFFFAOYSA-N
MW1043.09 g/mol
LogP13.09
Rot. Bonds20

About [4-[4-[4-[4-[4-(2,5-dimethoxy-4-phenylmethoxybenzoyl)oxyphenyl]benzoyl]oxyphenoxy]carbonylphenyl]phenyl] 2,5-dimethoxy-4-phenylmethoxybenzoate

[4-[4-[4-[4-[4-(2,5-dimethoxy-4-phenylmethoxybenzoyl)oxyphenyl]benzoyl]oxyphenoxy]carbonylphenyl]phenyl] 2,5-dimethoxy-4-phenylmethoxybenzoate (PubChem CID 59769008) has the molecular formula C64H50O14 and a molecular weight of 1043.09 g/mol. Its IUPAC name is [4-[4-[4-[4-[4-(2,5-dimethoxy-4-phenylmethoxybenzoyl)oxyphenyl]benzoyl]oxyphenoxy]carbonylphenyl]phenyl] 2,5-dimethoxy-4-phenylmethoxybenzoate.

Molecular Properties

Compound Name[4-[4-[4-[4-[4-(2,5-dimethoxy-4-phenylmethoxybenzoyl)oxyphenyl]benzoyl]oxyphenoxy]carbonylphenyl]phenyl] 2,5-dimethoxy-4-phenylmethoxybenzoate
PubChem CID59769008
Molecular FormulaC64H50O14
Molecular Weight1043.09 g/mol
Exact Mass1042.32
IUPAC Name[4-[4-[4-[4-[4-(2,5-dimethoxy-4-phenylmethoxybenzoyl)oxyphenyl]benzoyl]oxyphenoxy]carbonylphenyl]phenyl] 2,5-dimethoxy-4-phenylmethoxybenzoate
SMILESCOc1cc(C(=O)Oc2ccc(-c3ccc(C(=O)Oc4ccc(OC(=O)c5ccc(-c6ccc(OC(=O)c7cc(OC)c(OCc8ccccc8)cc7OC)cc6)cc5)cc4)cc3)cc2)c(OC)cc1OCc1ccccc1
InChIInChI=1S/C64H50O14/c1-69-55-37-59(73-39-41-11-7-5-8-12-41)57(71-3)35-53(55)63(67)77-49-27-23-45(24-28-49)43-15-19-47(20-16-43)61(65)75-51-31-33-52(34-32-51)76-62(66)48-21-17-44(18-22-48)46-25-29-50(30-26-46)78-64(68)54-36-58(72-4)60(38-56(54)70-2)74-40-42-13-9-6-10-14-42/h5-38H,39-40H2,1-4H3
InChIKeySROSJTPYGFSEDF-UHFFFAOYSA-N
XLogP13.09
TPSA160.58 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds20
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001043.09
LogP ≤ 513.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze [4-[4-[4-[4-[4-(2,5-dimethoxy-4-phenylmethoxybenzoyl)oxyphenyl]benzoyl]oxyphenoxy]carbonylphenyl]phenyl] 2,5-dimethoxy-4-phenylmethoxybenzoate with MolForge

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Related Compounds

[4-[4-[2-[4-[4-(2,5-dimethoxy-4-phenylmethoxybenzoyl)oxybenzoyl]oxyphenyl]ethynyl]phenoxy]carbonylphenyl] 2,5-dimethoxy-4-(phenoxymethyl)benzoate
CID 59518543
methane;[4-[4-[4-[4-(2,4,5-trimethoxybenzoyl)oxybenzoyl]oxyphenyl]phenoxy]carbonylphenyl] 2,4,5-trimethoxybenzoate
CID 159446453
methyl 5-methoxy-2-(methoxymethoxy)-4-phenylmethoxybenzoate
CID 10936482
(4-acetylphenyl) 2,4,5-trimethoxybenzoate;ethylbenzene;bis(2,3,6,7,10,11-hexamethyltriphenylene)
CID 158056928
(4-phenylmethoxycarbonylphenyl) 4-phenylbenzoate
CID 19181931
[4-[3-chloro-4-[4-(4-hydroxybenzoyl)oxyphenyl]phenoxy]carbonylphenyl] 2,4,5-trimethoxybenzoate
CID 89329551
(4-phenylmethoxyphenyl) 2,6-dimethoxybenzoate
CID 16644851
2-acetyl-4-methoxy-5-phenylmethoxybenzoic acid
CID 91863757
[4-[4-[4-[4-(2,4,5-triethynoxybenzoyl)oxybenzoyl]oxyphenyl]phenoxy]carbonylphenyl] 2,4,5-triethoxybenzoate
CID 58282521
4-methoxy-3-phenylmethoxybenzamide
CID 22467475
[4-[4-[4-[4-[2,4,5-tri(propan-2-yloxy)benzoyl]oxybenzoyl]oxyphenyl]phenoxy]carbonylphenyl] 2,4,5-tri(propan-2-yloxy)benzoate
CID 59768991
1-(2-hydroxy-4-methoxy-5-phenylmethoxyphenyl)ethanone
CID 14235165

Frequently Asked Questions

What is the IUPAC name of [4-[4-[4-[4-[4-(2,5-dimethoxy-4-phenylmethoxybenzoyl)oxyphenyl]benzoyl]oxyphenoxy]carbonylphenyl]phenyl] 2,5-dimethoxy-4-phenylmethoxybenzoate?
The IUPAC name of [4-[4-[4-[4-[4-(2,5-dimethoxy-4-phenylmethoxybenzoyl)oxyphenyl]benzoyl]oxyphenoxy]carbonylphenyl]phenyl] 2,5-dimethoxy-4-phenylmethoxybenzoate (CID 59769008) is [4-[4-[4-[4-[4-(2,5-dimethoxy-4-phenylmethoxybenzoyl)oxyphenyl]benzoyl]oxyphenoxy]carbonylphenyl]phenyl] 2,5-dimethoxy-4-phenylmethoxybenzoate.
What is the SMILES notation for [4-[4-[4-[4-[4-(2,5-dimethoxy-4-phenylmethoxybenzoyl)oxyphenyl]benzoyl]oxyphenoxy]carbonylphenyl]phenyl] 2,5-dimethoxy-4-phenylmethoxybenzoate?
The canonical SMILES for [4-[4-[4-[4-[4-(2,5-dimethoxy-4-phenylmethoxybenzoyl)oxyphenyl]benzoyl]oxyphenoxy]carbonylphenyl]phenyl] 2,5-dimethoxy-4-phenylmethoxybenzoate is COc1cc(C(=O)Oc2ccc(-c3ccc(C(=O)Oc4ccc(OC(=O)c5ccc(-c6ccc(OC(=O)c7cc(OC)c(OCc8ccccc8)cc7OC)cc6)cc5)cc4)cc3)cc2)c(OC)cc1OCc1ccccc1.
What is the InChIKey of [4-[4-[4-[4-[4-(2,5-dimethoxy-4-phenylmethoxybenzoyl)oxyphenyl]benzoyl]oxyphenoxy]carbonylphenyl]phenyl] 2,5-dimethoxy-4-phenylmethoxybenzoate?
The InChIKey is SROSJTPYGFSEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H50O14/c1-69-55-37-59(73-39-41-11-7-5-8-12-41)57(71-3)35-53(55)63(67)77-49-27-23-45(24-28-49)43-15-19-47(20-16-43)61(65)75-51-31-33-52(34-32-51)76-62(66)48-21-17-44(18-22-48)46-25-29-50(30-26-46)78-64(68)54-36-58(72-4)60(38-56(54)70-2)74-40-42-13-9-6-10-14-42/h5-38H,39-40H2,1-4H3.
What are the key properties of [4-[4-[4-[4-[4-(2,5-dimethoxy-4-phenylmethoxybenzoyl)oxyphenyl]benzoyl]oxyphenoxy]carbonylphenyl]phenyl] 2,5-dimethoxy-4-phenylmethoxybenzoate?
[4-[4-[4-[4-[4-(2,5-dimethoxy-4-phenylmethoxybenzoyl)oxyphenyl]benzoyl]oxyphenoxy]carbonylphenyl]phenyl] 2,5-dimethoxy-4-phenylmethoxybenzoate has a molecular weight of 1043.09 g/mol, XLogP of 13.09, 20 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[4-[4-[4-(2,5-dimethoxy-4-phenylmethoxybenzoyl)oxyphenyl]benzoyl]oxyphenoxy]carbonylphenyl]phenyl] 2,5-dimethoxy-4-phenylmethoxybenzoate is sourced from PubChem (CID 59769008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).