5-[[4-[(3-fluorophenyl)iminomethyl]-2-methoxyphenoxy]methyl]furan-2-carboxylic acid

C20H16FNO5 — CID 126390502

IUPAC5-[[4-[(3-fluorophenyl)iminomethyl]-2-methoxyphenoxy]methyl]furan-2-carboxylic acid
SMILESCOc1cc(/C=N/c2cccc(F)c2)ccc1OCc1ccc(C(=O)O)o1
InChIInChI=1S/C20H16FNO5/c1-25-19-9-13(11-22-15-4-2-3-14(21)10-15)5-7-17(19)26-12-16-6-8-18(27-16)20(23)24/h2-11H,12H2,1H3,(H,23,24)/b22-11+
InChIKeyOSXOUQRALAHJGQ-SSDVNMTOSA-N
MW369.35 g/mol
LogP4.46
Rot. Bonds7

About 5-[[4-[(3-fluorophenyl)iminomethyl]-2-methoxyphenoxy]methyl]furan-2-carboxylic acid

5-[[4-[(3-fluorophenyl)iminomethyl]-2-methoxyphenoxy]methyl]furan-2-carboxylic acid (PubChem CID 126390502) has the molecular formula C20H16FNO5 and a molecular weight of 369.35 g/mol. Its IUPAC name is 5-[[4-[(3-fluorophenyl)iminomethyl]-2-methoxyphenoxy]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[4-[(3-fluorophenyl)iminomethyl]-2-methoxyphenoxy]methyl]furan-2-carboxylic acid
PubChem CID126390502
Molecular FormulaC20H16FNO5
Molecular Weight369.35 g/mol
Exact Mass369.10
IUPAC Name5-[[4-[(3-fluorophenyl)iminomethyl]-2-methoxyphenoxy]methyl]furan-2-carboxylic acid
SMILESCOc1cc(/C=N/c2cccc(F)c2)ccc1OCc1ccc(C(=O)O)o1
InChIInChI=1S/C20H16FNO5/c1-25-19-9-13(11-22-15-4-2-3-14(21)10-15)5-7-17(19)26-12-16-6-8-18(27-16)20(23)24/h2-11H,12H2,1H3,(H,23,24)/b22-11+
InChIKeyOSXOUQRALAHJGQ-SSDVNMTOSA-N
XLogP4.46
TPSA81.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-[[4-[(4-carboxyphenyl)iminomethyl]-2-methoxyphenoxy]methyl]furan-2-carboxylic acid
CID 126390891
5-[[2-methoxy-4-[(2-methylsulfanylphenyl)iminomethyl]phenoxy]methyl]furan-2-carboxylic acid
CID 126390806
5-[(4-formyl-2-methoxyphenoxy)methyl]furan-2-carboxylic acid
CID 1266840
5-[[4-[(2-bromo-4-methylphenyl)iminomethyl]-2-methoxyphenoxy]methyl]furan-2-carboxylic acid
CID 126391051
5-[[2-methoxy-4-[(E)-[[2-(3-methoxyphenyl)acetyl]hydrazinylidene]methyl]phenoxy]methyl]furan-2-carboxylic acid
CID 124549673
5-[[2-methoxy-4-[(Z)-1,2,4-triazol-4-yliminomethyl]phenoxy]methyl]furan-2-carboxylic acid
CID 6288190
5-[[2-methoxy-4-[(phenylcarbamoylhydrazinylidene)methyl]phenoxy]methyl]furan-2-carboxylic acid
CID 3900269
5-[[2-methoxy-4-[(naphthalene-1-carbonylhydrazinylidene)methyl]phenoxy]methyl]furan-2-carboxylic acid
CID 3376365
5-[[2-methoxy-4-[[(2-methoxy-4-methylbenzoyl)hydrazinylidene]methyl]phenoxy]methyl]furan-2-carboxylic acid
CID 3501594
1-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(4-phenoxyphenyl)methanimine
CID 126209247
5-[[2-methoxy-4-[[[5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenoxy]methyl]furan-2-carboxylic acid
CID 3482441
3-[(3,4-dimethoxyphenyl)methylideneamino]benzoic acid
CID 964852

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(3-fluorophenyl)iminomethyl]-2-methoxyphenoxy]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[4-[(3-fluorophenyl)iminomethyl]-2-methoxyphenoxy]methyl]furan-2-carboxylic acid (CID 126390502) is 5-[[4-[(3-fluorophenyl)iminomethyl]-2-methoxyphenoxy]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[4-[(3-fluorophenyl)iminomethyl]-2-methoxyphenoxy]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[4-[(3-fluorophenyl)iminomethyl]-2-methoxyphenoxy]methyl]furan-2-carboxylic acid is COc1cc(/C=N/c2cccc(F)c2)ccc1OCc1ccc(C(=O)O)o1.
What is the InChIKey of 5-[[4-[(3-fluorophenyl)iminomethyl]-2-methoxyphenoxy]methyl]furan-2-carboxylic acid?
The InChIKey is OSXOUQRALAHJGQ-SSDVNMTOSA-N. The full InChI is InChI=1S/C20H16FNO5/c1-25-19-9-13(11-22-15-4-2-3-14(21)10-15)5-7-17(19)26-12-16-6-8-18(27-16)20(23)24/h2-11H,12H2,1H3,(H,23,24)/b22-11+.
What are the key properties of 5-[[4-[(3-fluorophenyl)iminomethyl]-2-methoxyphenoxy]methyl]furan-2-carboxylic acid?
5-[[4-[(3-fluorophenyl)iminomethyl]-2-methoxyphenoxy]methyl]furan-2-carboxylic acid has a molecular weight of 369.35 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(3-fluorophenyl)iminomethyl]-2-methoxyphenoxy]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 126390502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).