(2-ethoxy-4-formylphenyl) 2-ethoxybenzoate

C18H18O5 — CID 23011379

IUPAC(2-ethoxy-4-formylphenyl) 2-ethoxybenzoate
SMILESCCOc1cc(C=O)ccc1OC(=O)c1ccccc1OCC
InChIInChI=1S/C18H18O5/c1-3-21-15-8-6-5-7-14(15)18(20)23-16-10-9-13(12-19)11-17(16)22-4-2/h5-12H,3-4H2,1-2H3
InChIKeyFRJVWVRREQZDLB-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.52
Rot. Bonds7

About (2-ethoxy-4-formylphenyl) 2-ethoxybenzoate

(2-ethoxy-4-formylphenyl) 2-ethoxybenzoate (PubChem CID 23011379) has the molecular formula C18H18O5 and a molecular weight of 314.34 g/mol. Its IUPAC name is (2-ethoxy-4-formylphenyl) 2-ethoxybenzoate.

Molecular Properties

Compound Name(2-ethoxy-4-formylphenyl) 2-ethoxybenzoate
PubChem CID23011379
Molecular FormulaC18H18O5
Molecular Weight314.34 g/mol
Exact Mass314.12
IUPAC Name(2-ethoxy-4-formylphenyl) 2-ethoxybenzoate
SMILESCCOc1cc(C=O)ccc1OC(=O)c1ccccc1OCC
InChIInChI=1S/C18H18O5/c1-3-21-15-8-6-5-7-14(15)18(20)23-16-10-9-13(12-19)11-17(16)22-4-2/h5-12H,3-4H2,1-2H3
InChIKeyFRJVWVRREQZDLB-UHFFFAOYSA-N
XLogP3.52
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4-formyl-2-methoxyphenyl) 2-propoxybenzoate
CID 23013443
(2-ethoxy-4-ethylphenyl) 2-ethoxybenzoate
CID 176892639
(2-ethoxy-4-formylphenyl) furan-2-carboxylate
CID 672303
[4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-2-ethoxyphenyl] 2-ethoxybenzoate
CID 19176436
(2-ethoxy-4-formylphenyl) 3-bromo-4-ethoxybenzoate
CID 23013422
(2-formyl-4-nitrophenyl) 2-ethoxybenzoate
CID 23011376
ethyl 5-bromo-2-(2-ethoxybenzoyl)oxybenzoate
CID 17343270
[4-[(carbamothioylhydrazinylidene)methyl]-2-ethoxyphenyl] 2-methoxybenzoate
CID 4680035
(2-methoxy-4-prop-2-enylphenyl) 2-ethoxybenzoate
CID 54364867
2-ethoxybenzenecarboperoxoic acid
CID 22314606
3-ethoxy-4-[2-(2-phenylphenoxy)ethoxy]benzaldehyde
CID 22681141
[4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-2-ethoxyphenyl] 2-chlorobenzoate
CID 168599681

Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-4-formylphenyl) 2-ethoxybenzoate?
The IUPAC name of (2-ethoxy-4-formylphenyl) 2-ethoxybenzoate (CID 23011379) is (2-ethoxy-4-formylphenyl) 2-ethoxybenzoate.
What is the SMILES notation for (2-ethoxy-4-formylphenyl) 2-ethoxybenzoate?
The canonical SMILES for (2-ethoxy-4-formylphenyl) 2-ethoxybenzoate is CCOc1cc(C=O)ccc1OC(=O)c1ccccc1OCC.
What is the InChIKey of (2-ethoxy-4-formylphenyl) 2-ethoxybenzoate?
The InChIKey is FRJVWVRREQZDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O5/c1-3-21-15-8-6-5-7-14(15)18(20)23-16-10-9-13(12-19)11-17(16)22-4-2/h5-12H,3-4H2,1-2H3.
What are the key properties of (2-ethoxy-4-formylphenyl) 2-ethoxybenzoate?
(2-ethoxy-4-formylphenyl) 2-ethoxybenzoate has a molecular weight of 314.34 g/mol, XLogP of 3.52, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-4-formylphenyl) 2-ethoxybenzoate is sourced from PubChem (CID 23011379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).