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

C20H18O7 — CID 130308397

IUPAC2-[2-(4-formylbenzoyl)oxyethoxy]ethyl 4-formylbenzoate
SMILESO=Cc1ccc(C(=O)OCCOCCOC(=O)c2ccc(C=O)cc2)cc1
InChIInChI=1S/C20H18O7/c21-13-15-1-5-17(6-2-15)19(23)26-11-9-25-10-12-27-20(24)18-7-3-16(14-22)4-8-18/h1-8,13-14H,9-12H2
InChIKeyYMGAKEDJVFESMH-UHFFFAOYSA-N
MW370.36 g/mol
LogP2.34
Rot. Bonds10

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

2-[2-(4-formylbenzoyl)oxyethoxy]ethyl 4-formylbenzoate (PubChem CID 130308397) has the molecular formula C20H18O7 and a molecular weight of 370.36 g/mol. Its IUPAC name is 2-[2-(4-formylbenzoyl)oxyethoxy]ethyl 4-formylbenzoate.

Molecular Properties

Compound Name2-[2-(4-formylbenzoyl)oxyethoxy]ethyl 4-formylbenzoate
PubChem CID130308397
Molecular FormulaC20H18O7
Molecular Weight370.36 g/mol
Exact Mass370.11
IUPAC Name2-[2-(4-formylbenzoyl)oxyethoxy]ethyl 4-formylbenzoate
SMILESO=Cc1ccc(C(=O)OCCOCCOC(=O)c2ccc(C=O)cc2)cc1
InChIInChI=1S/C20H18O7/c21-13-15-1-5-17(6-2-15)19(23)26-11-9-25-10-12-27-20(24)18-7-3-16(14-22)4-8-18/h1-8,13-14H,9-12H2
InChIKeyYMGAKEDJVFESMH-UHFFFAOYSA-N
XLogP2.34
TPSA95.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 52.34
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-formylbenzoate
CID 130305051
6-(4-formylbenzoyl)oxyhexyl 4-formylbenzoate
CID 102486247
4-hydroxybutyl 4-formylbenzoate
CID 88931744
4-O-[2-[2-[4-[2-(2-benzoyloxyethoxy)ethoxycarbonyl]benzoyl]oxyethoxy]ethyl] 1-O-[2-(2-benzoyloxyethoxy)ethyl] benzene-1,4-dicarboxylate
CID 140775002
2-[2-[2-(4-aminobenzoyl)oxyethoxy]ethoxy]ethyl 4-aminobenzoate
CID 22467709
hexadecyl 4-formylbenzoate
CID 13404983
2-[2-[2-[2-(4-acetylbenzoyl)oxyethoxy]ethoxy]ethoxy]ethyl 4-acetylbenzoate
CID 157029099
[2-[2-[[2-(4-formylbenzoyl)oxyacetyl]amino]ethylamino]-2-oxoethyl] 4-formylbenzoate
CID 18229054
2-prop-2-enoxyethyl 4-ethenylbenzoate
CID 58769638
ethane;methyl 4-formylbenzoate
CID 91069506
2-[2-(4-methoxybenzoyl)oxyethoxy]ethyl 4-methoxybenzoate
CID 154279201

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-formylbenzoyl)oxyethoxy]ethyl 4-formylbenzoate?
The IUPAC name of 2-[2-(4-formylbenzoyl)oxyethoxy]ethyl 4-formylbenzoate (CID 130308397) is 2-[2-(4-formylbenzoyl)oxyethoxy]ethyl 4-formylbenzoate.
What is the SMILES notation for 2-[2-(4-formylbenzoyl)oxyethoxy]ethyl 4-formylbenzoate?
The canonical SMILES for 2-[2-(4-formylbenzoyl)oxyethoxy]ethyl 4-formylbenzoate is O=Cc1ccc(C(=O)OCCOCCOC(=O)c2ccc(C=O)cc2)cc1.
What is the InChIKey of 2-[2-(4-formylbenzoyl)oxyethoxy]ethyl 4-formylbenzoate?
The InChIKey is YMGAKEDJVFESMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O7/c21-13-15-1-5-17(6-2-15)19(23)26-11-9-25-10-12-27-20(24)18-7-3-16(14-22)4-8-18/h1-8,13-14H,9-12H2.
What are the key properties of 2-[2-(4-formylbenzoyl)oxyethoxy]ethyl 4-formylbenzoate?
2-[2-(4-formylbenzoyl)oxyethoxy]ethyl 4-formylbenzoate has a molecular weight of 370.36 g/mol, XLogP of 2.34, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-formylbenzoyl)oxyethoxy]ethyl 4-formylbenzoate is sourced from PubChem (CID 130308397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).