(E)-3-dibenzofuran-2-yl-2-[(4-methylphenoxy)methyl]prop-2-enoic acid

C23H18O4 — CID 71530111

IUPAC(E)-3-dibenzofuran-2-yl-2-[(4-methylphenoxy)methyl]prop-2-enoic acid
SMILESCc1ccc(OC/C(=C\c2ccc3oc4ccccc4c3c2)C(=O)O)cc1
InChIInChI=1S/C23H18O4/c1-15-6-9-18(10-7-15)26-14-17(23(24)25)12-16-8-11-22-20(13-16)19-4-2-3-5-21(19)27-22/h2-13H,14H2,1H3,(H,24,25)/b17-12+
InChIKeySAPQWAFOOLBFJM-SFQUDFHCSA-N
MW358.39 g/mol
LogP5.44
Rot. Bonds5

About (E)-3-dibenzofuran-2-yl-2-[(4-methylphenoxy)methyl]prop-2-enoic acid

(E)-3-dibenzofuran-2-yl-2-[(4-methylphenoxy)methyl]prop-2-enoic acid (PubChem CID 71530111) has the molecular formula C23H18O4 and a molecular weight of 358.39 g/mol. Its IUPAC name is (E)-3-dibenzofuran-2-yl-2-[(4-methylphenoxy)methyl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-dibenzofuran-2-yl-2-[(4-methylphenoxy)methyl]prop-2-enoic acid
PubChem CID71530111
Molecular FormulaC23H18O4
Molecular Weight358.39 g/mol
Exact Mass358.12
IUPAC Name(E)-3-dibenzofuran-2-yl-2-[(4-methylphenoxy)methyl]prop-2-enoic acid
SMILESCc1ccc(OC/C(=C\c2ccc3oc4ccccc4c3c2)C(=O)O)cc1
InChIInChI=1S/C23H18O4/c1-15-6-9-18(10-7-15)26-14-17(23(24)25)12-16-8-11-22-20(13-16)19-4-2-3-5-21(19)27-22/h2-13H,14H2,1H3,(H,24,25)/b17-12+
InChIKeySAPQWAFOOLBFJM-SFQUDFHCSA-N
XLogP5.44
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.39
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-dibenzofuran-2-yl-2-[(4-methylphenoxy)methyl]prop-2-enoic 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

dibenzofuran-2-yl 2-phenoxyacetate
CID 2591809
dibenzofuran-2-yl 2-(4-chlorophenoxy)acetate
CID 5153228
4-dibenzofuran-2-yloxybut-2-enoic acid
CID 76940836
2-dibenzofuran-2-yloxy-N-(1-phenylethyl)acetamide
CID 3648980
2-formamidoacetic acid;2-methyldibenzofuran
CID 169198330
2-(4-acetylphenoxy)-N-dibenzofuran-2-ylacetamide
CID 2635783
3-dibenzofuran-2-yloxybutanoic acid
CID 43536200
dibenzofuran-2-yl 3-methylbut-2-enoate
CID 30707785
3-(3-dibenzofuran-2-yloxy-2-oxopropyl)-2-methylbenzoate
CID 140796504
2-[(2-dibenzofuran-2-yloxyacetyl)-methylamino]-N,N-diethylacetamide
CID 9229917
dibenzofuran-2-yl N-hexylcarbamate
CID 15229767
dibenzofuran-2-yl 4-(4-bromophenoxy)butanoate
CID 3465330

Frequently Asked Questions

What is the IUPAC name of (E)-3-dibenzofuran-2-yl-2-[(4-methylphenoxy)methyl]prop-2-enoic acid?
The IUPAC name of (E)-3-dibenzofuran-2-yl-2-[(4-methylphenoxy)methyl]prop-2-enoic acid (CID 71530111) is (E)-3-dibenzofuran-2-yl-2-[(4-methylphenoxy)methyl]prop-2-enoic acid.
What is the SMILES notation for (E)-3-dibenzofuran-2-yl-2-[(4-methylphenoxy)methyl]prop-2-enoic acid?
The canonical SMILES for (E)-3-dibenzofuran-2-yl-2-[(4-methylphenoxy)methyl]prop-2-enoic acid is Cc1ccc(OC/C(=C\c2ccc3oc4ccccc4c3c2)C(=O)O)cc1.
What is the InChIKey of (E)-3-dibenzofuran-2-yl-2-[(4-methylphenoxy)methyl]prop-2-enoic acid?
The InChIKey is SAPQWAFOOLBFJM-SFQUDFHCSA-N. The full InChI is InChI=1S/C23H18O4/c1-15-6-9-18(10-7-15)26-14-17(23(24)25)12-16-8-11-22-20(13-16)19-4-2-3-5-21(19)27-22/h2-13H,14H2,1H3,(H,24,25)/b17-12+.
What are the key properties of (E)-3-dibenzofuran-2-yl-2-[(4-methylphenoxy)methyl]prop-2-enoic acid?
(E)-3-dibenzofuran-2-yl-2-[(4-methylphenoxy)methyl]prop-2-enoic acid has a molecular weight of 358.39 g/mol, XLogP of 5.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-dibenzofuran-2-yl-2-[(4-methylphenoxy)methyl]prop-2-enoic acid is sourced from PubChem (CID 71530111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).