[4-(2-phenoxyethoxycarbonyl)phenyl] 4-(2-methoxyethoxy)benzoate

C25H24O7 — CID 17151540

IUPAC[4-(2-phenoxyethoxycarbonyl)phenyl] 4-(2-methoxyethoxy)benzoate
SMILESCOCCOc1ccc(C(=O)Oc2ccc(C(=O)OCCOc3ccccc3)cc2)cc1
InChIInChI=1S/C25H24O7/c1-28-15-16-29-22-11-7-20(8-12-22)25(27)32-23-13-9-19(10-14-23)24(26)31-18-17-30-21-5-3-2-4-6-21/h2-14H,15-18H2,1H3
InChIKeyQABUXZFNXWKKAU-UHFFFAOYSA-N
MW436.46 g/mol
LogP4.17
Rot. Bonds11

About [4-(2-phenoxyethoxycarbonyl)phenyl] 4-(2-methoxyethoxy)benzoate

[4-(2-phenoxyethoxycarbonyl)phenyl] 4-(2-methoxyethoxy)benzoate (PubChem CID 17151540) has the molecular formula C25H24O7 and a molecular weight of 436.46 g/mol. Its IUPAC name is [4-(2-phenoxyethoxycarbonyl)phenyl] 4-(2-methoxyethoxy)benzoate.

Molecular Properties

Compound Name[4-(2-phenoxyethoxycarbonyl)phenyl] 4-(2-methoxyethoxy)benzoate
PubChem CID17151540
Molecular FormulaC25H24O7
Molecular Weight436.46 g/mol
Exact Mass436.15
IUPAC Name[4-(2-phenoxyethoxycarbonyl)phenyl] 4-(2-methoxyethoxy)benzoate
SMILESCOCCOc1ccc(C(=O)Oc2ccc(C(=O)OCCOc3ccccc3)cc2)cc1
InChIInChI=1S/C25H24O7/c1-28-15-16-29-22-11-7-20(8-12-22)25(27)32-23-13-9-19(10-14-23)24(26)31-18-17-30-21-5-3-2-4-6-21/h2-14H,15-18H2,1H3
InChIKeyQABUXZFNXWKKAU-UHFFFAOYSA-N
XLogP4.17
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.46
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-methoxyethyl 4-benzoyloxybenzoate
CID 17162027
1-O-[2-(4-phenoxycarbonylbenzoyl)oxyethyl] 4-O-phenyl benzene-1,4-dicarboxylate
CID 154278572
[4-[4-(4-benzoyloxybutoxy)benzoyl]oxyphenyl] 4-(6-benzoyloxyhexoxy)benzoate
CID 67688092
propyl 3-[4-(2-methoxyethoxy)benzoyl]oxybenzoate
CID 17169702
[4-(2-phenoxyethoxycarbonyl)phenyl] 3-chlorobenzoate
CID 17151501
phenyl 4-[5-(4-phenoxycarbonylphenoxy)pentoxy]benzoate
CID 134820825
[4-(2-phenoxyethoxycarbonyl)phenyl] 3-(2-methylpropoxy)benzoate
CID 17151563
2-phenoxyethyl 4-propan-2-yloxybenzoate
CID 23011936
2-phenoxyethyl 3-(4-pentoxybenzoyl)oxybenzoate
CID 17161856
(4-propanoylphenyl) 4-(2-methoxyethoxy)benzoate
CID 23012931
[4-(3-phenylpropoxycarbonyl)phenyl] 4-(2-ethoxyethoxy)benzoate
CID 17138048
(3-methylphenyl) 4-(2-methoxyethoxy)benzoate
CID 17178146

Frequently Asked Questions

What is the IUPAC name of [4-(2-phenoxyethoxycarbonyl)phenyl] 4-(2-methoxyethoxy)benzoate?
The IUPAC name of [4-(2-phenoxyethoxycarbonyl)phenyl] 4-(2-methoxyethoxy)benzoate (CID 17151540) is [4-(2-phenoxyethoxycarbonyl)phenyl] 4-(2-methoxyethoxy)benzoate.
What is the SMILES notation for [4-(2-phenoxyethoxycarbonyl)phenyl] 4-(2-methoxyethoxy)benzoate?
The canonical SMILES for [4-(2-phenoxyethoxycarbonyl)phenyl] 4-(2-methoxyethoxy)benzoate is COCCOc1ccc(C(=O)Oc2ccc(C(=O)OCCOc3ccccc3)cc2)cc1.
What is the InChIKey of [4-(2-phenoxyethoxycarbonyl)phenyl] 4-(2-methoxyethoxy)benzoate?
The InChIKey is QABUXZFNXWKKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24O7/c1-28-15-16-29-22-11-7-20(8-12-22)25(27)32-23-13-9-19(10-14-23)24(26)31-18-17-30-21-5-3-2-4-6-21/h2-14H,15-18H2,1H3.
What are the key properties of [4-(2-phenoxyethoxycarbonyl)phenyl] 4-(2-methoxyethoxy)benzoate?
[4-(2-phenoxyethoxycarbonyl)phenyl] 4-(2-methoxyethoxy)benzoate has a molecular weight of 436.46 g/mol, XLogP of 4.17, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-phenoxyethoxycarbonyl)phenyl] 4-(2-methoxyethoxy)benzoate is sourced from PubChem (CID 17151540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).