[2-(4-ethoxybenzoyl)oxy-4-methylphenyl] 4-ethoxybenzoate

C25H24O6 — CID 89316191

IUPAC[2-(4-ethoxybenzoyl)oxy-4-methylphenyl] 4-ethoxybenzoate
SMILESCCOc1ccc(C(=O)Oc2ccc(C)cc2OC(=O)c2ccc(OCC)cc2)cc1
InChIInChI=1S/C25H24O6/c1-4-28-20-11-7-18(8-12-20)24(26)30-22-15-6-17(3)16-23(22)31-25(27)19-9-13-21(14-10-19)29-5-2/h6-16H,4-5H2,1-3H3
InChIKeyMSGIKQGKWKCYKM-UHFFFAOYSA-N
MW420.46 g/mol
LogP5.23
Rot. Bonds8

About [2-(4-ethoxybenzoyl)oxy-4-methylphenyl] 4-ethoxybenzoate

[2-(4-ethoxybenzoyl)oxy-4-methylphenyl] 4-ethoxybenzoate (PubChem CID 89316191) has the molecular formula C25H24O6 and a molecular weight of 420.46 g/mol. Its IUPAC name is [2-(4-ethoxybenzoyl)oxy-4-methylphenyl] 4-ethoxybenzoate.

Molecular Properties

Compound Name[2-(4-ethoxybenzoyl)oxy-4-methylphenyl] 4-ethoxybenzoate
PubChem CID89316191
Molecular FormulaC25H24O6
Molecular Weight420.46 g/mol
Exact Mass420.16
IUPAC Name[2-(4-ethoxybenzoyl)oxy-4-methylphenyl] 4-ethoxybenzoate
SMILESCCOc1ccc(C(=O)Oc2ccc(C)cc2OC(=O)c2ccc(OCC)cc2)cc1
InChIInChI=1S/C25H24O6/c1-4-28-20-11-7-18(8-12-20)24(26)30-22-15-6-17(3)16-23(22)31-25(27)19-9-13-21(14-10-19)29-5-2/h6-16H,4-5H2,1-3H3
InChIKeyMSGIKQGKWKCYKM-UHFFFAOYSA-N
XLogP5.23
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.46
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2-bromo-4-methylphenyl) 4-ethoxybenzoate
CID 23011316
[4-methyl-2-(4-phenylmethoxybenzoyl)oxyphenyl] 4-phenylmethoxybenzoate
CID 58741237
(2-ethoxyphenyl) 4-ethoxybenzoate
CID 176892652
(5-ethyl-2-methylphenyl) 4-ethoxybenzoate
CID 836922
bis(2-methoxy-4-methylphenyl) benzene-1,4-dicarboxylate
CID 121297333
[2-chloro-4-[(2,4-dimethylphenyl)diazenyl]phenyl] 4-ethoxybenzoate
CID 102525981
(2-bromo-4-methylphenyl) 4-hexoxybenzoate
CID 23011402
[4-[3-[4-(4-ethoxybenzoyl)oxybenzoyl]oxyphenoxy]carbonylphenyl] 4-ethoxybenzoate
CID 143295267
(4-ethoxyphenyl) 4-carboxyoxy-3-methylbenzoate
CID 71651123
(4-ethoxyphenyl) 4-carboxyoxybenzoate
CID 68508169
(4-methoxyphenyl) 4-ethoxybenzoate
CID 23011327
(2,4-dimethylphenyl)-(4-ethoxyphenyl)methanone
CID 43160127

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethoxybenzoyl)oxy-4-methylphenyl] 4-ethoxybenzoate?
The IUPAC name of [2-(4-ethoxybenzoyl)oxy-4-methylphenyl] 4-ethoxybenzoate (CID 89316191) is [2-(4-ethoxybenzoyl)oxy-4-methylphenyl] 4-ethoxybenzoate.
What is the SMILES notation for [2-(4-ethoxybenzoyl)oxy-4-methylphenyl] 4-ethoxybenzoate?
The canonical SMILES for [2-(4-ethoxybenzoyl)oxy-4-methylphenyl] 4-ethoxybenzoate is CCOc1ccc(C(=O)Oc2ccc(C)cc2OC(=O)c2ccc(OCC)cc2)cc1.
What is the InChIKey of [2-(4-ethoxybenzoyl)oxy-4-methylphenyl] 4-ethoxybenzoate?
The InChIKey is MSGIKQGKWKCYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24O6/c1-4-28-20-11-7-18(8-12-20)24(26)30-22-15-6-17(3)16-23(22)31-25(27)19-9-13-21(14-10-19)29-5-2/h6-16H,4-5H2,1-3H3.
What are the key properties of [2-(4-ethoxybenzoyl)oxy-4-methylphenyl] 4-ethoxybenzoate?
[2-(4-ethoxybenzoyl)oxy-4-methylphenyl] 4-ethoxybenzoate has a molecular weight of 420.46 g/mol, XLogP of 5.23, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethoxybenzoyl)oxy-4-methylphenyl] 4-ethoxybenzoate is sourced from PubChem (CID 89316191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).