5-(2-phenoxyethoxy)furan-2-carboxylic acid

C13H12O5 — CID 62205472

IUPAC5-(2-phenoxyethoxy)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(OCCOc2ccccc2)o1
InChIInChI=1S/C13H12O5/c14-13(15)11-6-7-12(18-11)17-9-8-16-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,14,15)
InChIKeyBFEHLNMGSBIVAM-UHFFFAOYSA-N
MW248.23 g/mol
LogP2.44
Rot. Bonds6

About 5-(2-phenoxyethoxy)furan-2-carboxylic acid

5-(2-phenoxyethoxy)furan-2-carboxylic acid (PubChem CID 62205472) has the molecular formula C13H12O5 and a molecular weight of 248.23 g/mol. Its IUPAC name is 5-(2-phenoxyethoxy)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-phenoxyethoxy)furan-2-carboxylic acid
PubChem CID62205472
Molecular FormulaC13H12O5
Molecular Weight248.23 g/mol
Exact Mass248.07
IUPAC Name5-(2-phenoxyethoxy)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(OCCOc2ccccc2)o1
InChIInChI=1S/C13H12O5/c14-13(15)11-6-7-12(18-11)17-9-8-16-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,14,15)
InChIKeyBFEHLNMGSBIVAM-UHFFFAOYSA-N
XLogP2.44
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 52.44
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-(2-hydroxyethoxy)furan-2-carboxylic acid
CID 62206874
5-(2-ethoxyethoxy)furan-2-carboxylic acid
CID 62205469
5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]furan-2-carboxylic acid
CID 104560434
5-(2-propan-2-yloxyethoxy)furan-2-carboxylic acid
CID 62205827
5-(3-methoxypropoxy)furan-2-carboxylic acid
CID 62206697
5-(3,3,3-trifluoropropoxy)furan-2-carboxylic acid
CID 82954819
sodium;hydride;5-tetradecoxyfuran-2-carboxylic acid
CID 173446967
5-undec-10-enoxyfuran-2-carboxylic acid
CID 21327076
5-methyl-4-(2-phenoxyethoxymethyl)furan-2-carboxylic acid
CID 62274131
5-(6-phenoxyhexoxy)furan-2-carbaldehyde
CID 88608567
5-[2-(hydroxymethyl)phenoxy]furan-2-carboxylic acid
CID 55244838
2-phenoxyethylmercury
CID 163598363

Frequently Asked Questions

What is the IUPAC name of 5-(2-phenoxyethoxy)furan-2-carboxylic acid?
The IUPAC name of 5-(2-phenoxyethoxy)furan-2-carboxylic acid (CID 62205472) is 5-(2-phenoxyethoxy)furan-2-carboxylic acid.
What is the SMILES notation for 5-(2-phenoxyethoxy)furan-2-carboxylic acid?
The canonical SMILES for 5-(2-phenoxyethoxy)furan-2-carboxylic acid is O=C(O)c1ccc(OCCOc2ccccc2)o1.
What is the InChIKey of 5-(2-phenoxyethoxy)furan-2-carboxylic acid?
The InChIKey is BFEHLNMGSBIVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O5/c14-13(15)11-6-7-12(18-11)17-9-8-16-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,14,15).
What are the key properties of 5-(2-phenoxyethoxy)furan-2-carboxylic acid?
5-(2-phenoxyethoxy)furan-2-carboxylic acid has a molecular weight of 248.23 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenoxyethoxy)furan-2-carboxylic acid is sourced from PubChem (CID 62205472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).