5-[(4-formylphenoxy)methyl]-3-methylfuran-2-carboxylic acid

C14H12O5 — CID 43620851

IUPAC5-[(4-formylphenoxy)methyl]-3-methylfuran-2-carboxylic acid
SMILESCc1cc(COc2ccc(C=O)cc2)oc1C(=O)O
InChIInChI=1S/C14H12O5/c1-9-6-12(19-13(9)14(16)17)8-18-11-4-2-10(7-15)3-5-11/h2-7H,8H2,1H3,(H,16,17)
InChIKeyNBILDENICBXFLK-UHFFFAOYSA-N
MW260.25 g/mol
LogP2.68
Rot. Bonds5

About 5-[(4-formylphenoxy)methyl]-3-methylfuran-2-carboxylic acid

5-[(4-formylphenoxy)methyl]-3-methylfuran-2-carboxylic acid (PubChem CID 43620851) has the molecular formula C14H12O5 and a molecular weight of 260.25 g/mol. Its IUPAC name is 5-[(4-formylphenoxy)methyl]-3-methylfuran-2-carboxylic acid.

Molecular Properties

Compound Name5-[(4-formylphenoxy)methyl]-3-methylfuran-2-carboxylic acid
PubChem CID43620851
Molecular FormulaC14H12O5
Molecular Weight260.25 g/mol
Exact Mass260.07
IUPAC Name5-[(4-formylphenoxy)methyl]-3-methylfuran-2-carboxylic acid
SMILESCc1cc(COc2ccc(C=O)cc2)oc1C(=O)O
InChIInChI=1S/C14H12O5/c1-9-6-12(19-13(9)14(16)17)8-18-11-4-2-10(7-15)3-5-11/h2-7H,8H2,1H3,(H,16,17)
InChIKeyNBILDENICBXFLK-UHFFFAOYSA-N
XLogP2.68
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[[4-[(Z)-3-amino-2-cyano-3-oxoprop-1-enyl]phenoxy]methyl]-3-methylfuran-2-carboxylic acid
CID 75534663
5-[(3,4-dichlorophenoxy)methyl]-3-methylfuran-2-carboxylic acid
CID 43620839
3-methyl-5-(naphthalen-2-yloxymethyl)furan-2-carboxylic acid
CID 678938
5-[(3,5-difluorophenoxy)methyl]-3-methylfuran-2-carboxylic acid
CID 62785010
3-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)furan-2-carboxylic acid
CID 61398917
5-[(3-fluorophenoxy)methyl]-3-methylfuran-2-carboxylic acid
CID 43620729
3-methyl-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxylic acid
CID 103288809
3-methyl-5-[(2,3,5-trimethylphenoxy)methyl]furan-2-carboxylic acid
CID 43620802
5-[(2,4-dibromophenoxy)methyl]-3-methylfuran-2-carboxylic acid
CID 43620837
5-[(2-fluoro-4-formylphenoxy)methyl]-3-methylfuran-2-carbohydrazide
CID 107693729
5-[(4-bromo-2-fluorophenoxy)methyl]-3-methylfuran-2-carboxylic acid
CID 43620804
5-(but-3-enoxymethyl)-3-methylfuran-2-carboxylic acid
CID 43620826

Frequently Asked Questions

What is the IUPAC name of 5-[(4-formylphenoxy)methyl]-3-methylfuran-2-carboxylic acid?
The IUPAC name of 5-[(4-formylphenoxy)methyl]-3-methylfuran-2-carboxylic acid (CID 43620851) is 5-[(4-formylphenoxy)methyl]-3-methylfuran-2-carboxylic acid.
What is the SMILES notation for 5-[(4-formylphenoxy)methyl]-3-methylfuran-2-carboxylic acid?
The canonical SMILES for 5-[(4-formylphenoxy)methyl]-3-methylfuran-2-carboxylic acid is Cc1cc(COc2ccc(C=O)cc2)oc1C(=O)O.
What is the InChIKey of 5-[(4-formylphenoxy)methyl]-3-methylfuran-2-carboxylic acid?
The InChIKey is NBILDENICBXFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O5/c1-9-6-12(19-13(9)14(16)17)8-18-11-4-2-10(7-15)3-5-11/h2-7H,8H2,1H3,(H,16,17).
What are the key properties of 5-[(4-formylphenoxy)methyl]-3-methylfuran-2-carboxylic acid?
5-[(4-formylphenoxy)methyl]-3-methylfuran-2-carboxylic acid has a molecular weight of 260.25 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-formylphenoxy)methyl]-3-methylfuran-2-carboxylic acid is sourced from PubChem (CID 43620851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).