5-methyl-4-(2-phenoxyethoxymethyl)furan-2-carboxylic acid

C15H16O5 — CID 62274131

IUPAC5-methyl-4-(2-phenoxyethoxymethyl)furan-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1COCCOc1ccccc1
InChIInChI=1S/C15H16O5/c1-11-12(9-14(20-11)15(16)17)10-18-7-8-19-13-5-3-2-4-6-13/h2-6,9H,7-8,10H2,1H3,(H,16,17)
InChIKeyGYWKRRIWFMXPES-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.88
Rot. Bonds7

About 5-methyl-4-(2-phenoxyethoxymethyl)furan-2-carboxylic acid

5-methyl-4-(2-phenoxyethoxymethyl)furan-2-carboxylic acid (PubChem CID 62274131) has the molecular formula C15H16O5 and a molecular weight of 276.29 g/mol. Its IUPAC name is 5-methyl-4-(2-phenoxyethoxymethyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-(2-phenoxyethoxymethyl)furan-2-carboxylic acid
PubChem CID62274131
Molecular FormulaC15H16O5
Molecular Weight276.29 g/mol
Exact Mass276.10
IUPAC Name5-methyl-4-(2-phenoxyethoxymethyl)furan-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1COCCOc1ccccc1
InChIInChI=1S/C15H16O5/c1-11-12(9-14(20-11)15(16)17)10-18-7-8-19-13-5-3-2-4-6-13/h2-6,9H,7-8,10H2,1H3,(H,16,17)
InChIKeyGYWKRRIWFMXPES-UHFFFAOYSA-N
XLogP2.88
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-4-[(4-phenoxyphenoxy)methyl]furan-2-carboxylic acid
CID 22685896
5-methyl-4-[(3-phenoxypropylamino)methyl]furan-2-carboxylic acid
CID 103250021
5-methyl-4-(pentoxymethyl)furan-2-carboxylic acid
CID 62275146
4-[(2,6-dimethylphenoxy)methyl]-5-methylfuran-2-carboxylic acid
CID 22685434
4-[(2-iodophenoxy)methyl]-5-methylfuran-2-carboxylic acid
CID 62275317
4-[(4-carbamoylphenoxy)methyl]-5-methylfuran-2-carboxylic acid
CID 62273259
4-[2-[(2-methylphenyl)methoxy]ethoxy]benzoic acid
CID 143158497
5-methyl-4-(3-phenylpropoxymethyl)furan-2-carbohydrazide
CID 63570213
5-methyl-4-[(3-methylsulfonylphenoxy)methyl]furan-2-carboxylic acid
CID 62273090
4-[(3-methoxy-4-phenylphenoxy)methyl]-5-methylfuran-2-carboxylic acid
CID 68919722
5-methyl-4-[[3-[3-(trifluoromethyl)phenyl]phenoxy]methyl]furan-2-carboxylic acid
CID 18444604
4-[(4-bromo-3-fluorophenoxy)methyl]-5-methylfuran-2-carboxylic acid
CID 65203374

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(2-phenoxyethoxymethyl)furan-2-carboxylic acid?
The IUPAC name of 5-methyl-4-(2-phenoxyethoxymethyl)furan-2-carboxylic acid (CID 62274131) is 5-methyl-4-(2-phenoxyethoxymethyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-methyl-4-(2-phenoxyethoxymethyl)furan-2-carboxylic acid?
The canonical SMILES for 5-methyl-4-(2-phenoxyethoxymethyl)furan-2-carboxylic acid is Cc1oc(C(=O)O)cc1COCCOc1ccccc1.
What is the InChIKey of 5-methyl-4-(2-phenoxyethoxymethyl)furan-2-carboxylic acid?
The InChIKey is GYWKRRIWFMXPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O5/c1-11-12(9-14(20-11)15(16)17)10-18-7-8-19-13-5-3-2-4-6-13/h2-6,9H,7-8,10H2,1H3,(H,16,17).
What are the key properties of 5-methyl-4-(2-phenoxyethoxymethyl)furan-2-carboxylic acid?
5-methyl-4-(2-phenoxyethoxymethyl)furan-2-carboxylic acid has a molecular weight of 276.29 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(2-phenoxyethoxymethyl)furan-2-carboxylic acid is sourced from PubChem (CID 62274131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).