[3-methoxy-4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate

C23H20O5 — CID 118547379

IUPAC[3-methoxy-4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate
SMILESCOc1cc(OC(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccc(C)cc1
InChIInChI=1S/C23H20O5/c1-15-4-8-17(9-5-15)22(24)27-19-12-13-20(21(14-19)26-3)28-23(25)18-10-6-16(2)7-11-18/h4-14H,1-3H3
InChIKeyIPMZEQYMPMULDB-UHFFFAOYSA-N
MW376.41 g/mol
LogP4.75
Rot. Bonds5

About [3-methoxy-4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate

[3-methoxy-4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate (PubChem CID 118547379) has the molecular formula C23H20O5 and a molecular weight of 376.41 g/mol. Its IUPAC name is [3-methoxy-4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate.

Molecular Properties

Compound Name[3-methoxy-4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate
PubChem CID118547379
Molecular FormulaC23H20O5
Molecular Weight376.41 g/mol
Exact Mass376.13
IUPAC Name[3-methoxy-4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate
SMILESCOc1cc(OC(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccc(C)cc1
InChIInChI=1S/C23H20O5/c1-15-4-8-17(9-5-15)22(24)27-19-12-13-20(21(14-19)26-3)28-23(25)18-10-6-16(2)7-11-18/h4-14H,1-3H3
InChIKeyIPMZEQYMPMULDB-UHFFFAOYSA-N
XLogP4.75
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

bis(2-methoxy-4-methylphenyl) benzene-1,4-dicarboxylate
CID 121297333
(4-methylphenyl) 4-methoxy-3-methylbenzoate
CID 145312740
(2-methoxy-4-methylphenyl) 4-(difluoromethoxy)benzoate
CID 78780409
[3-methoxy-4-(4-prop-2-ynoxybenzoyl)oxyphenyl] 4-prop-2-ynoxybenzoate
CID 100952941
[4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate
CID 576898
[4-(4-hydroxybenzoyl)oxy-2-methylphenyl] 4-methylbenzoate
CID 54342277
[4-(4-acetyloxy-2-methylphenoxy)carbonylphenyl] 4-methylbenzoate
CID 58960600
[3,4-bis[(4-hydroxy-3-methoxybenzoyl)oxy]phenyl] 4-hydroxy-3-methoxybenzoate
CID 101473497
(3,4-dimethylphenyl) 3,4-dimethoxybenzoate
CID 723808
[4-(2,4-dimethylphenoxy)carbonylphenyl] 4-methoxybenzoate;sulfane
CID 144914302
(4-methoxy-3-methylphenyl) 4-ethylbenzoate
CID 145123252
[4-(4-methoxybenzoyl)oxyphenyl] 3,4-dimethoxybenzoate
CID 144750223

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate?
The IUPAC name of [3-methoxy-4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate (CID 118547379) is [3-methoxy-4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate.
What is the SMILES notation for [3-methoxy-4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate?
The canonical SMILES for [3-methoxy-4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate is COc1cc(OC(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccc(C)cc1.
What is the InChIKey of [3-methoxy-4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate?
The InChIKey is IPMZEQYMPMULDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O5/c1-15-4-8-17(9-5-15)22(24)27-19-12-13-20(21(14-19)26-3)28-23(25)18-10-6-16(2)7-11-18/h4-14H,1-3H3.
What are the key properties of [3-methoxy-4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate?
[3-methoxy-4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate has a molecular weight of 376.41 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate is sourced from PubChem (CID 118547379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).