2-[2-(4-methoxybenzoyl)oxyethoxy]ethyl 4-formylbenzoate

C20H20O7 — CID 130305051

IUPAC2-[2-(4-methoxybenzoyl)oxyethoxy]ethyl 4-formylbenzoate
SMILESCOc1ccc(C(=O)OCCOCCOC(=O)c2ccc(C=O)cc2)cc1
InChIInChI=1S/C20H20O7/c1-24-18-8-6-17(7-9-18)20(23)27-13-11-25-10-12-26-19(22)16-4-2-15(14-21)3-5-16/h2-9,14H,10-13H2,1H3
InChIKeyCSYQZDMLTNHADI-UHFFFAOYSA-N
MW372.37 g/mol
LogP2.54
Rot. Bonds10

About 2-[2-(4-methoxybenzoyl)oxyethoxy]ethyl 4-formylbenzoate

2-[2-(4-methoxybenzoyl)oxyethoxy]ethyl 4-formylbenzoate (PubChem CID 130305051) has the molecular formula C20H20O7 and a molecular weight of 372.37 g/mol. Its IUPAC name is 2-[2-(4-methoxybenzoyl)oxyethoxy]ethyl 4-formylbenzoate.

Molecular Properties

Compound Name2-[2-(4-methoxybenzoyl)oxyethoxy]ethyl 4-formylbenzoate
PubChem CID130305051
Molecular FormulaC20H20O7
Molecular Weight372.37 g/mol
Exact Mass372.12
IUPAC Name2-[2-(4-methoxybenzoyl)oxyethoxy]ethyl 4-formylbenzoate
SMILESCOc1ccc(C(=O)OCCOCCOC(=O)c2ccc(C=O)cc2)cc1
InChIInChI=1S/C20H20O7/c1-24-18-8-6-17(7-9-18)20(23)27-13-11-25-10-12-26-19(22)16-4-2-15(14-21)3-5-16/h2-9,14H,10-13H2,1H3
InChIKeyCSYQZDMLTNHADI-UHFFFAOYSA-N
XLogP2.54
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-formylbenzoyl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-formylbenzoate
CID 57408109
2-[2-(4-methoxybenzoyl)oxyethoxy]ethyl 4-methoxybenzoate
CID 154279201
2-[2-(4-formylbenzoyl)oxyethoxy]ethyl 4-formylbenzoate
CID 130308397
4-(4-methoxybenzoyl)benzaldehyde
CID 56593020
[2-(4-methoxyanilino)-2-oxoethyl] 4-formylbenzoate
CID 2417688
6-(4-formylbenzoyl)oxyhexyl 4-formylbenzoate
CID 102486247
8-(4-methoxybenzoyl)oxyoctyl 4-methoxybenzoate
CID 22375919
4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 46780459
ethane;methyl 4-formylbenzoate
CID 91069506
hexadecyl 4-formylbenzoate
CID 13404983
methyl 4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]benzoate
CID 77432563
2-[2-[2-[2-[4-[2-(4-methoxyphenyl)tetrazol-5-yl]benzoyl]oxyethoxy]ethoxy]ethoxy]ethyl 4-[2-(4-methoxyphenyl)tetrazol-5-yl]benzoate
CID 102143178

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxybenzoyl)oxyethoxy]ethyl 4-formylbenzoate?
The IUPAC name of 2-[2-(4-methoxybenzoyl)oxyethoxy]ethyl 4-formylbenzoate (CID 130305051) is 2-[2-(4-methoxybenzoyl)oxyethoxy]ethyl 4-formylbenzoate.
What is the SMILES notation for 2-[2-(4-methoxybenzoyl)oxyethoxy]ethyl 4-formylbenzoate?
The canonical SMILES for 2-[2-(4-methoxybenzoyl)oxyethoxy]ethyl 4-formylbenzoate is COc1ccc(C(=O)OCCOCCOC(=O)c2ccc(C=O)cc2)cc1.
What is the InChIKey of 2-[2-(4-methoxybenzoyl)oxyethoxy]ethyl 4-formylbenzoate?
The InChIKey is CSYQZDMLTNHADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O7/c1-24-18-8-6-17(7-9-18)20(23)27-13-11-25-10-12-26-19(22)16-4-2-15(14-21)3-5-16/h2-9,14H,10-13H2,1H3.
What are the key properties of 2-[2-(4-methoxybenzoyl)oxyethoxy]ethyl 4-formylbenzoate?
2-[2-(4-methoxybenzoyl)oxyethoxy]ethyl 4-formylbenzoate has a molecular weight of 372.37 g/mol, XLogP of 2.54, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxybenzoyl)oxyethoxy]ethyl 4-formylbenzoate is sourced from PubChem (CID 130305051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).