5-[(2-prop-1-enylphenoxy)methyl]furan-2-carboxylic acid

C15H14O4 — CID 659897

IUPAC5-[(2-prop-1-enylphenoxy)methyl]furan-2-carboxylic acid
SMILESCC=Cc1ccccc1OCc1ccc(C(=O)O)o1
InChIInChI=1S/C15H14O4/c1-2-5-11-6-3-4-7-13(11)18-10-12-8-9-14(19-12)15(16)17/h2-9H,10H2,1H3,(H,16,17)
InChIKeyUYAGNUNAKUVMAC-UHFFFAOYSA-N
MW258.27 g/mol
LogP3.59
Rot. Bonds5

About 5-[(2-prop-1-enylphenoxy)methyl]furan-2-carboxylic acid

5-[(2-prop-1-enylphenoxy)methyl]furan-2-carboxylic acid (PubChem CID 659897) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is 5-[(2-prop-1-enylphenoxy)methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-prop-1-enylphenoxy)methyl]furan-2-carboxylic acid
PubChem CID659897
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Name5-[(2-prop-1-enylphenoxy)methyl]furan-2-carboxylic acid
SMILESCC=Cc1ccccc1OCc1ccc(C(=O)O)o1
InChIInChI=1S/C15H14O4/c1-2-5-11-6-3-4-7-13(11)18-10-12-8-9-14(19-12)15(16)17/h2-9H,10H2,1H3,(H,16,17)
InChIKeyUYAGNUNAKUVMAC-UHFFFAOYSA-N
XLogP3.59
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[(2-prop-1-enylphenoxy)methyl]furan-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(2-acetylphenoxy)methyl]furan-2-carboxylic acid
CID 4683142
5-[(2-iodophenoxy)methyl]furan-2-carboxylic acid
CID 43479555
ethyl 5-[(2-formylphenoxy)methyl]furan-2-carboxylate
CID 28913574
benzyl 3-[2-[(Z)-prop-1-enyl]phenoxy]propanoate
CID 89249565
N-methyl-1-[2-methyl-5-[(2-prop-1-enylphenoxy)methyl]furan-3-yl]methanamine
CID 76943559
2-[4-[[2-[(E)-prop-1-enyl]phenoxy]methyl]phenyl]ethanamine
CID 105348895
5-[[2-[(1-amino-2-chloroethylidene)amino]phenoxy]methyl]furan-2-carboxylic acid
CID 169368226
4-(2-prop-1-enylphenoxy)but-2-enoic acid
CID 76940552
5-[(2-methylphenoxy)methyl]furan-2-carboxylate
CID 7015943
5-[[2-[(E)-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)hydrazinylidene]methyl]phenoxy]methyl]furan-2-carboxylic acid
CID 166402499
methyl 5-[[2-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]phenoxy]methyl]furan-2-carboxylate
CID 168600502
5-[(2-ethoxyphenoxy)methyl]furan-2-carbohydrazide
CID 7018661

Frequently Asked Questions

What is the IUPAC name of 5-[(2-prop-1-enylphenoxy)methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[(2-prop-1-enylphenoxy)methyl]furan-2-carboxylic acid (CID 659897) is 5-[(2-prop-1-enylphenoxy)methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(2-prop-1-enylphenoxy)methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[(2-prop-1-enylphenoxy)methyl]furan-2-carboxylic acid is CC=Cc1ccccc1OCc1ccc(C(=O)O)o1.
What is the InChIKey of 5-[(2-prop-1-enylphenoxy)methyl]furan-2-carboxylic acid?
The InChIKey is UYAGNUNAKUVMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4/c1-2-5-11-6-3-4-7-13(11)18-10-12-8-9-14(19-12)15(16)17/h2-9H,10H2,1H3,(H,16,17).
What are the key properties of 5-[(2-prop-1-enylphenoxy)methyl]furan-2-carboxylic acid?
5-[(2-prop-1-enylphenoxy)methyl]furan-2-carboxylic acid has a molecular weight of 258.27 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-prop-1-enylphenoxy)methyl]furan-2-carboxylic acid is sourced from PubChem (CID 659897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).