3-[(E)-2-(3-aminophenyl)ethenyl]phenol

C14H13NO — CID 89320801

IUPAC3-[(E)-2-(3-aminophenyl)ethenyl]phenol
SMILESNc1cccc(/C=C/c2cccc(O)c2)c1
InChIInChI=1S/C14H13NO/c15-13-5-1-3-11(9-13)7-8-12-4-2-6-14(16)10-12/h1-10,16H,15H2/b8-7+
InChIKeyINQNMEPIVIUBFA-BQYQJAHWSA-N
MW211.26 g/mol
LogP3.14
Rot. Bonds2

About 3-[(E)-2-(3-aminophenyl)ethenyl]phenol

3-[(E)-2-(3-aminophenyl)ethenyl]phenol (PubChem CID 89320801) has the molecular formula C14H13NO and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-[(E)-2-(3-aminophenyl)ethenyl]phenol.

Molecular Properties

Compound Name3-[(E)-2-(3-aminophenyl)ethenyl]phenol
PubChem CID89320801
Molecular FormulaC14H13NO
Molecular Weight211.26 g/mol
Exact Mass211.10
IUPAC Name3-[(E)-2-(3-aminophenyl)ethenyl]phenol
SMILESNc1cccc(/C=C/c2cccc(O)c2)c1
InChIInChI=1S/C14H13NO/c15-13-5-1-3-11(9-13)7-8-12-4-2-6-14(16)10-12/h1-10,16H,15H2/b8-7+
InChIKeyINQNMEPIVIUBFA-BQYQJAHWSA-N
XLogP3.14
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(3-aminophenyl)ethenyl]phenol?
The IUPAC name of 3-[(E)-2-(3-aminophenyl)ethenyl]phenol (CID 89320801) is 3-[(E)-2-(3-aminophenyl)ethenyl]phenol.
What is the SMILES notation for 3-[(E)-2-(3-aminophenyl)ethenyl]phenol?
The canonical SMILES for 3-[(E)-2-(3-aminophenyl)ethenyl]phenol is Nc1cccc(/C=C/c2cccc(O)c2)c1.
What is the InChIKey of 3-[(E)-2-(3-aminophenyl)ethenyl]phenol?
The InChIKey is INQNMEPIVIUBFA-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H13NO/c15-13-5-1-3-11(9-13)7-8-12-4-2-6-14(16)10-12/h1-10,16H,15H2/b8-7+.
What are the key properties of 3-[(E)-2-(3-aminophenyl)ethenyl]phenol?
3-[(E)-2-(3-aminophenyl)ethenyl]phenol has a molecular weight of 211.26 g/mol, XLogP of 3.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(3-aminophenyl)ethenyl]phenol is sourced from PubChem (CID 89320801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).