5-[(4-formyl-2-methoxyphenoxy)methyl]furan-2-carboxylic acid

C14H12O6 — CID 1266840

IUPAC5-[(4-formyl-2-methoxyphenoxy)methyl]furan-2-carboxylic acid
SMILESCOc1cc(C=O)ccc1OCc1ccc(C(=O)O)o1
InChIInChI=1S/C14H12O6/c1-18-13-6-9(7-15)2-4-11(13)19-8-10-3-5-12(20-10)14(16)17/h2-7H,8H2,1H3,(H,16,17)
InChIKeyFCESSRUJLIKRKP-UHFFFAOYSA-N
MW276.24 g/mol
LogP2.38
Rot. Bonds6

About 5-[(4-formyl-2-methoxyphenoxy)methyl]furan-2-carboxylic acid

5-[(4-formyl-2-methoxyphenoxy)methyl]furan-2-carboxylic acid (PubChem CID 1266840) has the molecular formula C14H12O6 and a molecular weight of 276.24 g/mol. Its IUPAC name is 5-[(4-formyl-2-methoxyphenoxy)methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(4-formyl-2-methoxyphenoxy)methyl]furan-2-carboxylic acid
PubChem CID1266840
Molecular FormulaC14H12O6
Molecular Weight276.24 g/mol
Exact Mass276.06
IUPAC Name5-[(4-formyl-2-methoxyphenoxy)methyl]furan-2-carboxylic acid
SMILESCOc1cc(C=O)ccc1OCc1ccc(C(=O)O)o1
InChIInChI=1S/C14H12O6/c1-18-13-6-9(7-15)2-4-11(13)19-8-10-3-5-12(20-10)14(16)17/h2-7H,8H2,1H3,(H,16,17)
InChIKeyFCESSRUJLIKRKP-UHFFFAOYSA-N
XLogP2.38
TPSA85.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.24
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[[4-[(4-carboxyphenyl)iminomethyl]-2-methoxyphenoxy]methyl]furan-2-carboxylic acid
CID 126390891
ethyl 5-[(5-formyl-2-methoxyphenoxy)methyl]furan-2-carboxylate
CID 28913576
5-[[2-methoxy-4-[(Z)-1,2,4-triazol-4-yliminomethyl]phenoxy]methyl]furan-2-carboxylic acid
CID 6288190
5-[[2-methoxy-4-[(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]phenoxy]methyl]furan-2-carboxylic acid
CID 3896073
5-[[4-[(3-fluorophenyl)iminomethyl]-2-methoxyphenoxy]methyl]furan-2-carboxylic acid
CID 126390502
5-[[2-methoxy-4-[(phenylcarbamoylhydrazinylidene)methyl]phenoxy]methyl]furan-2-carboxylic acid
CID 3900269
5-[[2-methoxy-4-[(2-methylsulfanylphenyl)iminomethyl]phenoxy]methyl]furan-2-carboxylic acid
CID 126390806
5-[[4-[(2-bromo-4-methylphenyl)iminomethyl]-2-methoxyphenoxy]methyl]furan-2-carboxylic acid
CID 126391051
5-[[2-methoxy-4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]methyl]furan-2-carboxylic acid
CID 3445411
ethyl 5-[(2-ethoxy-4-formylphenoxy)methyl]furan-2-carboxylate
CID 28913579
4-[[4-(hydroxymethyl)phenyl]methoxy]-3-methoxybenzaldehyde
CID 115969367
5-[[2-methoxy-4-[[(2-methoxy-4-methylbenzoyl)hydrazinylidene]methyl]phenoxy]methyl]furan-2-carboxylic acid
CID 3501594

Frequently Asked Questions

What is the IUPAC name of 5-[(4-formyl-2-methoxyphenoxy)methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(4-formyl-2-methoxyphenoxy)methyl]furan-2-carboxylic acid (CID 1266840) is 5-[(4-formyl-2-methoxyphenoxy)methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(4-formyl-2-methoxyphenoxy)methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(4-formyl-2-methoxyphenoxy)methyl]furan-2-carboxylic acid is COc1cc(C=O)ccc1OCc1ccc(C(=O)O)o1.
What is the InChIKey of 5-[(4-formyl-2-methoxyphenoxy)methyl]furan-2-carboxylic acid?
The InChIKey is FCESSRUJLIKRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O6/c1-18-13-6-9(7-15)2-4-11(13)19-8-10-3-5-12(20-10)14(16)17/h2-7H,8H2,1H3,(H,16,17).
What are the key properties of 5-[(4-formyl-2-methoxyphenoxy)methyl]furan-2-carboxylic acid?
5-[(4-formyl-2-methoxyphenoxy)methyl]furan-2-carboxylic acid has a molecular weight of 276.24 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-formyl-2-methoxyphenoxy)methyl]furan-2-carboxylic acid is sourced from PubChem (CID 1266840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).