ethyl 5-[(2-formylphenoxy)methyl]furan-2-carboxylate

C15H14O5 — CID 28913574

IUPACethyl 5-[(2-formylphenoxy)methyl]furan-2-carboxylate
SMILESCCOC(=O)c1ccc(COc2ccccc2C=O)o1
InChIInChI=1S/C15H14O5/c1-2-18-15(17)14-8-7-12(20-14)10-19-13-6-4-3-5-11(13)9-16/h3-9H,2,10H2,1H3
InChIKeyMFFFPNLQGDWHIV-UHFFFAOYSA-N
MW274.27 g/mol
LogP2.85
Rot. Bonds6

About ethyl 5-[(2-formylphenoxy)methyl]furan-2-carboxylate

ethyl 5-[(2-formylphenoxy)methyl]furan-2-carboxylate (PubChem CID 28913574) has the molecular formula C15H14O5 and a molecular weight of 274.27 g/mol. Its IUPAC name is ethyl 5-[(2-formylphenoxy)methyl]furan-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(2-formylphenoxy)methyl]furan-2-carboxylate
PubChem CID28913574
Molecular FormulaC15H14O5
Molecular Weight274.27 g/mol
Exact Mass274.08
IUPAC Nameethyl 5-[(2-formylphenoxy)methyl]furan-2-carboxylate
SMILESCCOC(=O)c1ccc(COc2ccccc2C=O)o1
InChIInChI=1S/C15H14O5/c1-2-18-15(17)14-8-7-12(20-14)10-19-13-6-4-3-5-11(13)9-16/h3-9H,2,10H2,1H3
InChIKeyMFFFPNLQGDWHIV-UHFFFAOYSA-N
XLogP2.85
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[(2-formylphenoxy)methyl]benzoate
CID 87464157
ethyl 5-[(2-ethoxy-4-formylphenoxy)methyl]furan-2-carboxylate
CID 28913579
ethyl 5-[(5-formyl-2-methoxyphenoxy)methyl]furan-2-carboxylate
CID 28913576
5-[(2-prop-1-enylphenoxy)methyl]furan-2-carboxylic acid
CID 659897
5-[(2-ethoxyphenoxy)methyl]furan-2-carbohydrazide
CID 7018661
ethyl 5-[[4-(methoxymethyl)phenoxy]methyl]furan-2-carboxylate
CID 10017085
methyl 5-[[2-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]phenoxy]methyl]furan-2-carboxylate
CID 168600502
2-[(4-methylphenyl)methoxy]benzaldehyde
CID 693304
ethyl (2-formylphenoxy)methyl carbonate
CID 87319171
5-[(2-methylphenoxy)methyl]furan-2-carboxylate
CID 7015943
ethyl 5-prop-2-enylfuran-2-carboxylate
CID 15418368
2-ethoxybenzaldehyde;hydrofluoride
CID 157329385

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(2-formylphenoxy)methyl]furan-2-carboxylate?
The IUPAC name of ethyl 5-[(2-formylphenoxy)methyl]furan-2-carboxylate (CID 28913574) is ethyl 5-[(2-formylphenoxy)methyl]furan-2-carboxylate.
What is the SMILES notation for ethyl 5-[(2-formylphenoxy)methyl]furan-2-carboxylate?
The canonical SMILES for ethyl 5-[(2-formylphenoxy)methyl]furan-2-carboxylate is CCOC(=O)c1ccc(COc2ccccc2C=O)o1.
What is the InChIKey of ethyl 5-[(2-formylphenoxy)methyl]furan-2-carboxylate?
The InChIKey is MFFFPNLQGDWHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O5/c1-2-18-15(17)14-8-7-12(20-14)10-19-13-6-4-3-5-11(13)9-16/h3-9H,2,10H2,1H3.
What are the key properties of ethyl 5-[(2-formylphenoxy)methyl]furan-2-carboxylate?
ethyl 5-[(2-formylphenoxy)methyl]furan-2-carboxylate has a molecular weight of 274.27 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(2-formylphenoxy)methyl]furan-2-carboxylate is sourced from PubChem (CID 28913574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).