3-[4-(2-aminophenyl)phenyl]prop-2-enoic acid

C15H13NO2 — CID 67741417

IUPAC3-[4-(2-aminophenyl)phenyl]prop-2-enoic acid
SMILESNc1ccccc1-c1ccc(C=CC(=O)O)cc1
InChIInChI=1S/C15H13NO2/c16-14-4-2-1-3-13(14)12-8-5-11(6-9-12)7-10-15(17)18/h1-10H,16H2,(H,17,18)
InChIKeyZVUIPCFGFBSPHE-UHFFFAOYSA-N
MW239.27 g/mol
LogP3.03
Rot. Bonds3

About 3-[4-(2-aminophenyl)phenyl]prop-2-enoic acid

3-[4-(2-aminophenyl)phenyl]prop-2-enoic acid (PubChem CID 67741417) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 3-[4-(2-aminophenyl)phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name3-[4-(2-aminophenyl)phenyl]prop-2-enoic acid
PubChem CID67741417
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name3-[4-(2-aminophenyl)phenyl]prop-2-enoic acid
SMILESNc1ccccc1-c1ccc(C=CC(=O)O)cc1
InChIInChI=1S/C15H13NO2/c16-14-4-2-1-3-13(14)12-8-5-11(6-9-12)7-10-15(17)18/h1-10H,16H2,(H,17,18)
InChIKeyZVUIPCFGFBSPHE-UHFFFAOYSA-N
XLogP3.03
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(E)-2-carboxyethenyl]phenyl]benzoic acid
CID 170872362
(Z)-3-phenylprop-2-enoic acid
CID 5372954
3-phenylprop-2-enoic acid;hydrobromide
CID 172826551
3-phenylprop-2-enoic acid;hydrofluoride
CID 159150390
azane;3-phenylprop-2-enoic acid
CID 66894546
bis((E)-3-phenylprop-2-enoic acid);zinc
CID 11291345
CID 131855579
CID 131855579
ethane;methanamine;(E)-3-phenylprop-2-enoic acid
CID 142207731
3-[4-(4-hydroxyphenyl)phenyl]prop-2-enoic acid
CID 68584496
ethane-1,2-diamine;(E)-3-phenylprop-2-enoic acid
CID 141192681
ethanol;3-phenylprop-2-enoic acid
CID 158830805
(E)-3-(4-methylphenyl)prop-2-enoic acid
CID 731767

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-aminophenyl)phenyl]prop-2-enoic acid?
The IUPAC name of 3-[4-(2-aminophenyl)phenyl]prop-2-enoic acid (CID 67741417) is 3-[4-(2-aminophenyl)phenyl]prop-2-enoic acid.
What is the SMILES notation for 3-[4-(2-aminophenyl)phenyl]prop-2-enoic acid?
The canonical SMILES for 3-[4-(2-aminophenyl)phenyl]prop-2-enoic acid is Nc1ccccc1-c1ccc(C=CC(=O)O)cc1.
What is the InChIKey of 3-[4-(2-aminophenyl)phenyl]prop-2-enoic acid?
The InChIKey is ZVUIPCFGFBSPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c16-14-4-2-1-3-13(14)12-8-5-11(6-9-12)7-10-15(17)18/h1-10H,16H2,(H,17,18).
What are the key properties of 3-[4-(2-aminophenyl)phenyl]prop-2-enoic acid?
3-[4-(2-aminophenyl)phenyl]prop-2-enoic acid has a molecular weight of 239.27 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-aminophenyl)phenyl]prop-2-enoic acid is sourced from PubChem (CID 67741417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).