ethyl 4-formyl-2-(4-formylbenzoyl)oxybenzoate

C18H14O6 — CID 168861948

IUPACethyl 4-formyl-2-(4-formylbenzoyl)oxybenzoate
SMILESCCOC(=O)c1ccc(C=O)cc1OC(=O)c1ccc(C=O)cc1
InChIInChI=1S/C18H14O6/c1-2-23-18(22)15-8-5-13(11-20)9-16(15)24-17(21)14-6-3-12(10-19)4-7-14/h3-11H,2H2,1H3
InChIKeyJPDUEDULBGWXRH-UHFFFAOYSA-N
MW326.30 g/mol
LogP2.71
Rot. Bonds6

About ethyl 4-formyl-2-(4-formylbenzoyl)oxybenzoate

ethyl 4-formyl-2-(4-formylbenzoyl)oxybenzoate (PubChem CID 168861948) has the molecular formula C18H14O6 and a molecular weight of 326.30 g/mol. Its IUPAC name is ethyl 4-formyl-2-(4-formylbenzoyl)oxybenzoate.

Molecular Properties

Compound Nameethyl 4-formyl-2-(4-formylbenzoyl)oxybenzoate
PubChem CID168861948
Molecular FormulaC18H14O6
Molecular Weight326.30 g/mol
Exact Mass326.08
IUPAC Nameethyl 4-formyl-2-(4-formylbenzoyl)oxybenzoate
SMILESCCOC(=O)c1ccc(C=O)cc1OC(=O)c1ccc(C=O)cc1
InChIInChI=1S/C18H14O6/c1-2-23-18(22)15-8-5-13(11-20)9-16(15)24-17(21)14-6-3-12(10-19)4-7-14/h3-11H,2H2,1H3
InChIKeyJPDUEDULBGWXRH-UHFFFAOYSA-N
XLogP2.71
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.30
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-(N-(4-ethoxycarbonylphenyl)-4-formylanilino)benzoate
CID 146802367
(2,4-diformylphenyl) 4-formylbenzoate
CID 130308399
2-(4-formylphenoxy)ethyl 2,5-bis[(4-octoxybenzoyl)oxy]benzoate
CID 91941191
(2-ethoxy-4-formylphenyl) 3-bromo-4-ethoxybenzoate
CID 23013422
methyl 4-ethenyl-2-(4-ethenylbenzoyl)oxybenzoate
CID 141024991
4-(2-ethoxycarbonylphenoxy)carbonylbenzoate
CID 18428931
(2-ethoxy-4-formylphenyl) 2-ethoxybenzoate
CID 23011379
diethyl 2-hydroperoxybenzene-1,4-dicarboxylate
CID 174358590
(4-formyl-2-methoxyphenyl) 4-fluorobenzoate
CID 766120
ethyl 4-carbamoyl-2-ethoxybenzoate
CID 132570188
(2-ethoxy-4-formylphenyl) 3-bromo-4-propan-2-yloxybenzoate
CID 23012997
ethyl 5-formyl-2-hydroxy-3-methoxybenzoate
CID 76851767

Frequently Asked Questions

What is the IUPAC name of ethyl 4-formyl-2-(4-formylbenzoyl)oxybenzoate?
The IUPAC name of ethyl 4-formyl-2-(4-formylbenzoyl)oxybenzoate (CID 168861948) is ethyl 4-formyl-2-(4-formylbenzoyl)oxybenzoate.
What is the SMILES notation for ethyl 4-formyl-2-(4-formylbenzoyl)oxybenzoate?
The canonical SMILES for ethyl 4-formyl-2-(4-formylbenzoyl)oxybenzoate is CCOC(=O)c1ccc(C=O)cc1OC(=O)c1ccc(C=O)cc1.
What is the InChIKey of ethyl 4-formyl-2-(4-formylbenzoyl)oxybenzoate?
The InChIKey is JPDUEDULBGWXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O6/c1-2-23-18(22)15-8-5-13(11-20)9-16(15)24-17(21)14-6-3-12(10-19)4-7-14/h3-11H,2H2,1H3.
What are the key properties of ethyl 4-formyl-2-(4-formylbenzoyl)oxybenzoate?
ethyl 4-formyl-2-(4-formylbenzoyl)oxybenzoate has a molecular weight of 326.30 g/mol, XLogP of 2.71, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-formyl-2-(4-formylbenzoyl)oxybenzoate is sourced from PubChem (CID 168861948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).