5-[(2-methoxy-4-propylphenoxy)methyl]furan-2-carboxylic acid

C16H18O5 — CID 725863

IUPAC5-[(2-methoxy-4-propylphenoxy)methyl]furan-2-carboxylic acid
SMILESCCCc1ccc(OCc2ccc(C(=O)O)o2)c(OC)c1
InChIInChI=1S/C16H18O5/c1-3-4-11-5-7-13(15(9-11)19-2)20-10-12-6-8-14(21-12)16(17)18/h5-9H,3-4,10H2,1-2H3,(H,17,18)
InChIKeyWUEXFFLXCQDFAA-UHFFFAOYSA-N
MW290.32 g/mol
LogP3.52
Rot. Bonds7

About 5-[(2-methoxy-4-propylphenoxy)methyl]furan-2-carboxylic acid

5-[(2-methoxy-4-propylphenoxy)methyl]furan-2-carboxylic acid (PubChem CID 725863) has the molecular formula C16H18O5 and a molecular weight of 290.32 g/mol. Its IUPAC name is 5-[(2-methoxy-4-propylphenoxy)methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-methoxy-4-propylphenoxy)methyl]furan-2-carboxylic acid
PubChem CID725863
Molecular FormulaC16H18O5
Molecular Weight290.32 g/mol
Exact Mass290.12
IUPAC Name5-[(2-methoxy-4-propylphenoxy)methyl]furan-2-carboxylic acid
SMILESCCCc1ccc(OCc2ccc(C(=O)O)o2)c(OC)c1
InChIInChI=1S/C16H18O5/c1-3-4-11-5-7-13(15(9-11)19-2)20-10-12-6-8-14(21-12)16(17)18/h5-9H,3-4,10H2,1-2H3,(H,17,18)
InChIKeyWUEXFFLXCQDFAA-UHFFFAOYSA-N
XLogP3.52
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxy-4-propylphenoxy)methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(2-methoxy-4-propylphenoxy)methyl]furan-2-carboxylic acid (CID 725863) is 5-[(2-methoxy-4-propylphenoxy)methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(2-methoxy-4-propylphenoxy)methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(2-methoxy-4-propylphenoxy)methyl]furan-2-carboxylic acid is CCCc1ccc(OCc2ccc(C(=O)O)o2)c(OC)c1.
What is the InChIKey of 5-[(2-methoxy-4-propylphenoxy)methyl]furan-2-carboxylic acid?
The InChIKey is WUEXFFLXCQDFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O5/c1-3-4-11-5-7-13(15(9-11)19-2)20-10-12-6-8-14(21-12)16(17)18/h5-9H,3-4,10H2,1-2H3,(H,17,18).
What are the key properties of 5-[(2-methoxy-4-propylphenoxy)methyl]furan-2-carboxylic acid?
5-[(2-methoxy-4-propylphenoxy)methyl]furan-2-carboxylic acid has a molecular weight of 290.32 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxy-4-propylphenoxy)methyl]furan-2-carboxylic acid is sourced from PubChem (CID 725863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).