[3,5-bis[(2-methoxy-5-phenylbenzoyl)oxy]phenyl] 2-methoxy-5-phenylbenzoate

C48H36O9 — CID 20721751

IUPAC[3,5-bis[(2-methoxy-5-phenylbenzoyl)oxy]phenyl] 2-methoxy-5-phenylbenzoate
SMILESCOc1ccc(-c2ccccc2)cc1C(=O)Oc1cc(OC(=O)c2cc(-c3ccccc3)ccc2OC)cc(OC(=O)c2cc(-c3ccccc3)ccc2OC)c1
InChIInChI=1S/C48H36O9/c1-52-43-22-19-34(31-13-7-4-8-14-31)25-40(43)46(49)55-37-28-38(56-47(50)41-26-35(20-23-44(41)53-2)32-15-9-5-10-16-32)30-39(29-37)57-48(51)42-27-36(21-24-45(42)54-3)33-17-11-6-12-18-33/h4-30H,1-3H3
InChIKeyPASJJWKXPWXKFH-UHFFFAOYSA-N
MW756.81 g/mol
LogP10.37
Rot. Bonds12

About [3,5-bis[(2-methoxy-5-phenylbenzoyl)oxy]phenyl] 2-methoxy-5-phenylbenzoate

[3,5-bis[(2-methoxy-5-phenylbenzoyl)oxy]phenyl] 2-methoxy-5-phenylbenzoate (PubChem CID 20721751) has the molecular formula C48H36O9 and a molecular weight of 756.81 g/mol. Its IUPAC name is [3,5-bis[(2-methoxy-5-phenylbenzoyl)oxy]phenyl] 2-methoxy-5-phenylbenzoate.

Molecular Properties

Compound Name[3,5-bis[(2-methoxy-5-phenylbenzoyl)oxy]phenyl] 2-methoxy-5-phenylbenzoate
PubChem CID20721751
Molecular FormulaC48H36O9
Molecular Weight756.81 g/mol
Exact Mass756.24
IUPAC Name[3,5-bis[(2-methoxy-5-phenylbenzoyl)oxy]phenyl] 2-methoxy-5-phenylbenzoate
SMILESCOc1ccc(-c2ccccc2)cc1C(=O)Oc1cc(OC(=O)c2cc(-c3ccccc3)ccc2OC)cc(OC(=O)c2cc(-c3ccccc3)ccc2OC)c1
InChIInChI=1S/C48H36O9/c1-52-43-22-19-34(31-13-7-4-8-14-31)25-40(43)46(49)55-37-28-38(56-47(50)41-26-35(20-23-44(41)53-2)32-15-9-5-10-16-32)30-39(29-37)57-48(51)42-27-36(21-24-45(42)54-3)33-17-11-6-12-18-33/h4-30H,1-3H3
InChIKeyPASJJWKXPWXKFH-UHFFFAOYSA-N
XLogP10.37
TPSA106.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.81
LogP ≤ 510.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

[3,5-bis[(3-methoxynaphthalene-2-carbonyl)oxy]phenyl] 3-methoxynaphthalene-2-carboxylate;[3,5-bis[(2-methoxy-5-phenylbenzoyl)oxy]phenyl] 2-methoxy-5-phenylbenzoate;[3,5-bis[[2-methoxy-5-(2-phenylethynyl)benzoyl]oxy]phenyl] 2-methoxy-5-(2-phenylethynyl)benzoate
CID 91046570
(4-naphthalen-2-ylphenyl) 2-methoxybenzoate
CID 158131394
ethane;methyl 2-methoxy-5-(4-methylphenyl)benzoate
CID 143170462
(4-phenylphenyl) 2-methoxy-4-methylsulfanylbenzoate
CID 7926510
N-cyclopropyl-2-methoxy-5-phenylbenzamide
CID 110406431
bis(4-phenyldiazenylphenyl) 4-methoxybenzene-1,3-dicarboxylate
CID 175261100
[2-methoxy-4-[(E)-3-oxo-3-(4-phenylphenyl)prop-1-enyl]phenyl] 2-methoxybenzoate
CID 6125226
N-(3-acetamidopropyl)-2-methoxy-5-phenylbenzamide
CID 110630734
N-(4-acetamidobutyl)-2-methoxy-5-phenylbenzamide
CID 110609817
(4-phenylphenyl)methyl 5-chloro-2-methoxybenzoate
CID 7235683
N-[2-(dimethylamino)ethyl]-2-methoxy-5-phenylbenzamide
CID 110408034
naphthalen-2-yl 5-chloro-2-methoxybenzoate
CID 5036835

Frequently Asked Questions

What is the IUPAC name of [3,5-bis[(2-methoxy-5-phenylbenzoyl)oxy]phenyl] 2-methoxy-5-phenylbenzoate?
The IUPAC name of [3,5-bis[(2-methoxy-5-phenylbenzoyl)oxy]phenyl] 2-methoxy-5-phenylbenzoate (CID 20721751) is [3,5-bis[(2-methoxy-5-phenylbenzoyl)oxy]phenyl] 2-methoxy-5-phenylbenzoate.
What is the SMILES notation for [3,5-bis[(2-methoxy-5-phenylbenzoyl)oxy]phenyl] 2-methoxy-5-phenylbenzoate?
The canonical SMILES for [3,5-bis[(2-methoxy-5-phenylbenzoyl)oxy]phenyl] 2-methoxy-5-phenylbenzoate is COc1ccc(-c2ccccc2)cc1C(=O)Oc1cc(OC(=O)c2cc(-c3ccccc3)ccc2OC)cc(OC(=O)c2cc(-c3ccccc3)ccc2OC)c1.
What is the InChIKey of [3,5-bis[(2-methoxy-5-phenylbenzoyl)oxy]phenyl] 2-methoxy-5-phenylbenzoate?
The InChIKey is PASJJWKXPWXKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H36O9/c1-52-43-22-19-34(31-13-7-4-8-14-31)25-40(43)46(49)55-37-28-38(56-47(50)41-26-35(20-23-44(41)53-2)32-15-9-5-10-16-32)30-39(29-37)57-48(51)42-27-36(21-24-45(42)54-3)33-17-11-6-12-18-33/h4-30H,1-3H3.
What are the key properties of [3,5-bis[(2-methoxy-5-phenylbenzoyl)oxy]phenyl] 2-methoxy-5-phenylbenzoate?
[3,5-bis[(2-methoxy-5-phenylbenzoyl)oxy]phenyl] 2-methoxy-5-phenylbenzoate has a molecular weight of 756.81 g/mol, XLogP of 10.37, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis[(2-methoxy-5-phenylbenzoyl)oxy]phenyl] 2-methoxy-5-phenylbenzoate is sourced from PubChem (CID 20721751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).