2-[(4-acetylphenoxy)methyl]furan-3-carboxylic acid

C14H12O5 — CID 43419529

IUPAC2-[(4-acetylphenoxy)methyl]furan-3-carboxylic acid
SMILESCC(=O)c1ccc(OCc2occc2C(=O)O)cc1
InChIInChI=1S/C14H12O5/c1-9(15)10-2-4-11(5-3-10)19-8-13-12(14(16)17)6-7-18-13/h2-7H,8H2,1H3,(H,16,17)
InChIKeyNSFFPDYIPCRBHD-UHFFFAOYSA-N
MW260.25 g/mol
LogP2.76
Rot. Bonds5

About 2-[(4-acetylphenoxy)methyl]furan-3-carboxylic acid

2-[(4-acetylphenoxy)methyl]furan-3-carboxylic acid (PubChem CID 43419529) has the molecular formula C14H12O5 and a molecular weight of 260.25 g/mol. Its IUPAC name is 2-[(4-acetylphenoxy)methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-[(4-acetylphenoxy)methyl]furan-3-carboxylic acid
PubChem CID43419529
Molecular FormulaC14H12O5
Molecular Weight260.25 g/mol
Exact Mass260.07
IUPAC Name2-[(4-acetylphenoxy)methyl]furan-3-carboxylic acid
SMILESCC(=O)c1ccc(OCc2occc2C(=O)O)cc1
InChIInChI=1S/C14H12O5/c1-9(15)10-2-4-11(5-3-10)19-8-13-12(14(16)17)6-7-18-13/h2-7H,8H2,1H3,(H,16,17)
InChIKeyNSFFPDYIPCRBHD-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

2-[(4-carboxyphenoxy)methyl]furan-3-carboxylic acid
CID 823830
2-[(4-propylphenoxy)methyl]furan-3-carboxylic acid
CID 62550489
2-[(3,4-dichlorophenoxy)methyl]furan-3-carboxylic acid
CID 43419560
2-[(4-bromo-3-methylphenoxy)methyl]furan-3-carboxylic acid
CID 83133234
2-[[4-[(Z)-2-pyrazin-2-ylprop-1-enyl]phenoxy]methyl]furan-3-carboxylic acid
CID 146127562
2-[(3-chloro-4-fluorophenoxy)methyl]furan-3-carboxylic acid
CID 43477550
2-[(3-methyl-4-nitrophenoxy)methyl]furan-3-carboxylic acid
CID 43394487
2-[(2,4,6-trimethylphenoxy)methyl]furan-3-carboxylic acid
CID 43419459
1-[4-[[4-[(4-acetylphenoxy)methyl]phenyl]methoxy]phenyl]ethanone
CID 10619405
2-[(3-bromo-5-fluorophenoxy)methyl]furan-3-carboxylic acid
CID 81322665
2-[(4-chloro-2,6-dimethylphenoxy)methyl]furan-3-carboxylic acid
CID 43477473
2-[(2,5-dibromo-4-methoxyphenoxy)methyl]furan-3-carboxylic acid
CID 79416307

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetylphenoxy)methyl]furan-3-carboxylic acid?
The IUPAC name of 2-[(4-acetylphenoxy)methyl]furan-3-carboxylic acid (CID 43419529) is 2-[(4-acetylphenoxy)methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-[(4-acetylphenoxy)methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-[(4-acetylphenoxy)methyl]furan-3-carboxylic acid is CC(=O)c1ccc(OCc2occc2C(=O)O)cc1.
What is the InChIKey of 2-[(4-acetylphenoxy)methyl]furan-3-carboxylic acid?
The InChIKey is NSFFPDYIPCRBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O5/c1-9(15)10-2-4-11(5-3-10)19-8-13-12(14(16)17)6-7-18-13/h2-7H,8H2,1H3,(H,16,17).
What are the key properties of 2-[(4-acetylphenoxy)methyl]furan-3-carboxylic acid?
2-[(4-acetylphenoxy)methyl]furan-3-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 2-[(4-acetylphenoxy)methyl]furan-3-carboxylic acid is sourced from PubChem (CID 43419529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).