5-[(2-acetylphenoxy)methyl]furan-2-carboxylic acid

C14H12O5 — CID 4683142

IUPAC5-[(2-acetylphenoxy)methyl]furan-2-carboxylic acid
SMILESCC(=O)c1ccccc1OCc1ccc(C(=O)O)o1
InChIInChI=1S/C14H12O5/c1-9(15)11-4-2-3-5-12(11)18-8-10-6-7-13(19-10)14(16)17/h2-7H,8H2,1H3,(H,16,17)
InChIKeySFKPRWXGJAXWIO-UHFFFAOYSA-N
MW260.25 g/mol
LogP2.76
Rot. Bonds5

About 5-[(2-acetylphenoxy)methyl]furan-2-carboxylic acid

5-[(2-acetylphenoxy)methyl]furan-2-carboxylic acid (PubChem CID 4683142) has the molecular formula C14H12O5 and a molecular weight of 260.25 g/mol. Its IUPAC name is 5-[(2-acetylphenoxy)methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-acetylphenoxy)methyl]furan-2-carboxylic acid
PubChem CID4683142
Molecular FormulaC14H12O5
Molecular Weight260.25 g/mol
Exact Mass260.07
IUPAC Name5-[(2-acetylphenoxy)methyl]furan-2-carboxylic acid
SMILESCC(=O)c1ccccc1OCc1ccc(C(=O)O)o1
InChIInChI=1S/C14H12O5/c1-9(15)11-4-2-3-5-12(11)18-8-10-6-7-13(19-10)14(16)17/h2-7H,8H2,1H3,(H,16,17)
InChIKeySFKPRWXGJAXWIO-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-iodophenoxy)methyl]furan-2-carboxylic acid
CID 43479555
5-[(2-prop-1-enylphenoxy)methyl]furan-2-carboxylic acid
CID 659897
2-[(5-bromofuran-2-yl)methoxy]benzoic acid
CID 43143148
1-[2-[[2-[(2-acetylphenoxy)methyl]phenyl]methoxy]phenyl]ethanone
CID 13256788
1-[2-[(4-chlorophenyl)methoxy]phenyl]ethanone
CID 2763955
1-[2-(1,2-oxazol-5-ylmethoxy)phenyl]ethanone
CID 28782316
methyl 2-[[4-[(2-acetylphenoxy)methyl]phenyl]methoxy]benzoate
CID 59575964
5-[[2-[(1-amino-2-chloroethylidene)amino]phenoxy]methyl]furan-2-carboxylic acid
CID 169368226
methyl 5-[(2-acetyl-4-fluorophenoxy)methyl]furan-2-carboxylate
CID 112787676
N-[4-[(2-acetylphenoxy)methyl]phenyl]acetamide
CID 129038120
5-[(2-methylphenoxy)methyl]furan-2-carboxylate
CID 7015943
5-[(2-ethoxyphenoxy)methyl]furan-2-carbohydrazide
CID 7018661

Frequently Asked Questions

What is the IUPAC name of 5-[(2-acetylphenoxy)methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(2-acetylphenoxy)methyl]furan-2-carboxylic acid (CID 4683142) is 5-[(2-acetylphenoxy)methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(2-acetylphenoxy)methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(2-acetylphenoxy)methyl]furan-2-carboxylic acid is CC(=O)c1ccccc1OCc1ccc(C(=O)O)o1.
What is the InChIKey of 5-[(2-acetylphenoxy)methyl]furan-2-carboxylic acid?
The InChIKey is SFKPRWXGJAXWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O5/c1-9(15)11-4-2-3-5-12(11)18-8-10-6-7-13(19-10)14(16)17/h2-7H,8H2,1H3,(H,16,17).
What are the key properties of 5-[(2-acetylphenoxy)methyl]furan-2-carboxylic acid?
5-[(2-acetylphenoxy)methyl]furan-2-carboxylic acid has a molecular weight of 260.25 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-acetylphenoxy)methyl]furan-2-carboxylic acid is sourced from PubChem (CID 4683142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).