4-[2-(2-aminophenyl)ethynyl]phenol

C14H11NO — CID 130019366

IUPAC4-[2-(2-aminophenyl)ethynyl]phenol
SMILESNc1ccccc1C#Cc1ccc(O)cc1
InChIInChI=1S/C14H11NO/c15-14-4-2-1-3-12(14)8-5-11-6-9-13(16)10-7-11/h1-4,6-7,9-10,16H,15H2
InChIKeyMINHHSHFYRYEDB-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.37
Rot. Bonds

About 4-[2-(2-aminophenyl)ethynyl]phenol

4-[2-(2-aminophenyl)ethynyl]phenol (PubChem CID 130019366) has the molecular formula C14H11NO and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-[2-(2-aminophenyl)ethynyl]phenol.

Molecular Properties

Compound Name4-[2-(2-aminophenyl)ethynyl]phenol
PubChem CID130019366
Molecular FormulaC14H11NO
Molecular Weight209.25 g/mol
Exact Mass209.08
IUPAC Name4-[2-(2-aminophenyl)ethynyl]phenol
SMILESNc1ccccc1C#Cc1ccc(O)cc1
InChIInChI=1S/C14H11NO/c15-14-4-2-1-3-12(14)8-5-11-6-9-13(16)10-7-11/h1-4,6-7,9-10,16H,15H2
InChIKeyMINHHSHFYRYEDB-UHFFFAOYSA-N
XLogP2.37
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[2-(2-aminophenyl)ethynyl]benzoate
CID 132574943
sodium 2-aminophenol
CID 18764426
2-aminophenol;azane
CID 159865141
4-[[4-[(4-hydroxyphenyl)methyl]-5-(2-phenylethynyl)-2-[2-[4-(2-phenylethynyl)phenyl]ethynyl]phenyl]methyl]phenol
CID 130211166
2-amino-5-(2-phenylethynyl)benzonitrile
CID 54411075
2-amino-6-(2-phenylethynyl)benzonitrile
CID 124707394
2-[2-(4-methylphenyl)ethynyl]phenol
CID 20579578
aniline;benzene;benzene-1,4-diol
CID 175585204
4-[2-[4-[2-(4-hydroxyphenyl)ethynyl]phenyl]ethynyl]benzonitrile
CID 71093897
3-(4-hydroxyphenyl)-1-phenylprop-2-yn-1-one
CID 11481454
2-((1,2-13C2)cyclohexatrienyl)ethynyl(1,2-13C2)cyclohexatriene
CID 150731469
2-nitro-3-(2-phenylethynyl)aniline
CID 67280396

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-aminophenyl)ethynyl]phenol?
The IUPAC name of 4-[2-(2-aminophenyl)ethynyl]phenol (CID 130019366) is 4-[2-(2-aminophenyl)ethynyl]phenol.
What is the SMILES notation for 4-[2-(2-aminophenyl)ethynyl]phenol?
The canonical SMILES for 4-[2-(2-aminophenyl)ethynyl]phenol is Nc1ccccc1C#Cc1ccc(O)cc1.
What is the InChIKey of 4-[2-(2-aminophenyl)ethynyl]phenol?
The InChIKey is MINHHSHFYRYEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO/c15-14-4-2-1-3-12(14)8-5-11-6-9-13(16)10-7-11/h1-4,6-7,9-10,16H,15H2.
What are the key properties of 4-[2-(2-aminophenyl)ethynyl]phenol?
4-[2-(2-aminophenyl)ethynyl]phenol has a molecular weight of 209.25 g/mol, XLogP of 2.37, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-aminophenyl)ethynyl]phenol is sourced from PubChem (CID 130019366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).