(E)-3-(4-carbazol-9-ylphenyl)prop-2-enoic acid

C21H15NO2 — CID 102277396

IUPAC(E)-3-(4-carbazol-9-ylphenyl)prop-2-enoic acid
SMILESO=C(O)/C=C/c1ccc(-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C21H15NO2/c23-21(24)14-11-15-9-12-16(13-10-15)22-19-7-3-1-5-17(19)18-6-2-4-8-20(18)22/h1-14H,(H,23,24)/b14-11+
InChIKeyOWCLDRMYOJGLMQ-SDNWHVSQSA-N
MW313.36 g/mol
LogP4.88
Rot. Bonds3

About (E)-3-(4-carbazol-9-ylphenyl)prop-2-enoic acid

(E)-3-(4-carbazol-9-ylphenyl)prop-2-enoic acid (PubChem CID 102277396) has the molecular formula C21H15NO2 and a molecular weight of 313.36 g/mol. Its IUPAC name is (E)-3-(4-carbazol-9-ylphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(4-carbazol-9-ylphenyl)prop-2-enoic acid
PubChem CID102277396
Molecular FormulaC21H15NO2
Molecular Weight313.36 g/mol
Exact Mass313.11
IUPAC Name(E)-3-(4-carbazol-9-ylphenyl)prop-2-enoic acid
SMILESO=C(O)/C=C/c1ccc(-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C21H15NO2/c23-21(24)14-11-15-9-12-16(13-10-15)22-19-7-3-1-5-17(19)18-6-2-4-8-20(18)22/h1-14H,(H,23,24)/b14-11+
InChIKeyOWCLDRMYOJGLMQ-SDNWHVSQSA-N
XLogP4.88
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-3-(4-carbazol-9-ylphenyl)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

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-carbazol-9-ylphenyl)prop-2-enoic acid?
The IUPAC name of (E)-3-(4-carbazol-9-ylphenyl)prop-2-enoic acid (CID 102277396) is (E)-3-(4-carbazol-9-ylphenyl)prop-2-enoic acid.
What is the SMILES notation for (E)-3-(4-carbazol-9-ylphenyl)prop-2-enoic acid?
The canonical SMILES for (E)-3-(4-carbazol-9-ylphenyl)prop-2-enoic acid is O=C(O)/C=C/c1ccc(-n2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of (E)-3-(4-carbazol-9-ylphenyl)prop-2-enoic acid?
The InChIKey is OWCLDRMYOJGLMQ-SDNWHVSQSA-N. The full InChI is InChI=1S/C21H15NO2/c23-21(24)14-11-15-9-12-16(13-10-15)22-19-7-3-1-5-17(19)18-6-2-4-8-20(18)22/h1-14H,(H,23,24)/b14-11+.
What are the key properties of (E)-3-(4-carbazol-9-ylphenyl)prop-2-enoic acid?
(E)-3-(4-carbazol-9-ylphenyl)prop-2-enoic acid has a molecular weight of 313.36 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-carbazol-9-ylphenyl)prop-2-enoic acid is sourced from PubChem (CID 102277396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).