2-[[(E)-3-phenylprop-2-enoxy]methyl]furan-3-carboxylic acid

C15H14O4 — CID 43477539

IUPAC2-[[(E)-3-phenylprop-2-enoxy]methyl]furan-3-carboxylic acid
SMILESO=C(O)c1ccoc1COC/C=C/c1ccccc1
InChIInChI=1S/C15H14O4/c16-15(17)13-8-10-19-14(13)11-18-9-4-7-12-5-2-1-3-6-12/h1-8,10H,9,11H2,(H,16,17)/b7-4+
InChIKeyGUCOAIBUVCJMIH-QPJJXVBHSA-N
MW258.27 g/mol
LogP3.21
Rot. Bonds6

About 2-[[(E)-3-phenylprop-2-enoxy]methyl]furan-3-carboxylic acid

2-[[(E)-3-phenylprop-2-enoxy]methyl]furan-3-carboxylic acid (PubChem CID 43477539) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is 2-[[(E)-3-phenylprop-2-enoxy]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-[[(E)-3-phenylprop-2-enoxy]methyl]furan-3-carboxylic acid
PubChem CID43477539
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Name2-[[(E)-3-phenylprop-2-enoxy]methyl]furan-3-carboxylic acid
SMILESO=C(O)c1ccoc1COC/C=C/c1ccccc1
InChIInChI=1S/C15H14O4/c16-15(17)13-8-10-19-14(13)11-18-9-4-7-12-5-2-1-3-6-12/h1-8,10H,9,11H2,(H,16,17)/b7-4+
InChIKeyGUCOAIBUVCJMIH-QPJJXVBHSA-N
XLogP3.21
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[[(E)-3-phenylprop-2-enoxy]methyl]furan-3-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

2-(phenylmethoxymethyl)furan-3-carboxylic acid
CID 43477489
5-fluoro-2-(3-phenylprop-2-enoxymethyl)benzoic acid
CID 76994576
1,3,5-tris[[(E)-3-phenylprop-2-enoxy]methyl]benzene
CID 15531172
1,3,5-tribromo-2-[[(E)-3-phenylprop-2-enoxy]methyl]-4,6-bis(prop-2-enoxymethyl)benzene
CID 10919097
2-(pyridin-3-ylmethoxymethyl)furan-3-carboxylic acid
CID 83214184
(E)-5-[(E)-3-phenylprop-2-enoxy]pent-3-en-2-one
CID 11310468
1-[4-[(E)-3-phenylmethoxyprop-1-enyl]phenyl]ethanone
CID 11230907
2-[(Z)-3-phenylprop-2-enoxy]ethanol
CID 11679907
2-[(4-acetylphenoxy)methyl]furan-3-carboxylic acid
CID 43419529
1-(2-fluorophenyl)-2-(3-phenylprop-2-enoxy)ethanone
CID 76931527
[(E)-3-[4-[(E)-3-phenylprop-2-enoxy]butoxy]prop-1-enyl]benzene
CID 15531171
bis[(E)-3-phenylprop-2-enyl] (Z)-but-2-enedioate
CID 70543374

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-3-phenylprop-2-enoxy]methyl]furan-3-carboxylic acid?
The IUPAC name of 2-[[(E)-3-phenylprop-2-enoxy]methyl]furan-3-carboxylic acid (CID 43477539) is 2-[[(E)-3-phenylprop-2-enoxy]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-[[(E)-3-phenylprop-2-enoxy]methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-[[(E)-3-phenylprop-2-enoxy]methyl]furan-3-carboxylic acid is O=C(O)c1ccoc1COC/C=C/c1ccccc1.
What is the InChIKey of 2-[[(E)-3-phenylprop-2-enoxy]methyl]furan-3-carboxylic acid?
The InChIKey is GUCOAIBUVCJMIH-QPJJXVBHSA-N. The full InChI is InChI=1S/C15H14O4/c16-15(17)13-8-10-19-14(13)11-18-9-4-7-12-5-2-1-3-6-12/h1-8,10H,9,11H2,(H,16,17)/b7-4+.
What are the key properties of 2-[[(E)-3-phenylprop-2-enoxy]methyl]furan-3-carboxylic acid?
2-[[(E)-3-phenylprop-2-enoxy]methyl]furan-3-carboxylic acid has a molecular weight of 258.27 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-3-phenylprop-2-enoxy]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 43477539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).