4-[1-amino-1-(4-hydroxyphenyl)prop-2-ynyl]phenol

C15H13NO2 — CID 163652118

IUPAC4-[1-amino-1-(4-hydroxyphenyl)prop-2-ynyl]phenol
SMILESC#CC(N)(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C15H13NO2/c1-2-15(16,11-3-7-13(17)8-4-11)12-5-9-14(18)10-6-12/h1,3-10,17-18H,16H2
InChIKeyINBLPOAGJDZYBM-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.93
Rot. Bonds2

About 4-[1-amino-1-(4-hydroxyphenyl)prop-2-ynyl]phenol

4-[1-amino-1-(4-hydroxyphenyl)prop-2-ynyl]phenol (PubChem CID 163652118) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 4-[1-amino-1-(4-hydroxyphenyl)prop-2-ynyl]phenol.

Molecular Properties

Compound Name4-[1-amino-1-(4-hydroxyphenyl)prop-2-ynyl]phenol
PubChem CID163652118
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name4-[1-amino-1-(4-hydroxyphenyl)prop-2-ynyl]phenol
SMILESC#CC(N)(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C15H13NO2/c1-2-15(16,11-3-7-13(17)8-4-11)12-5-9-14(18)10-6-12/h1,3-10,17-18H,16H2
InChIKeyINBLPOAGJDZYBM-UHFFFAOYSA-N
XLogP1.93
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[1-amino-1-[4-[amino-bis(4-hydroxyphenyl)methyl]phenyl]ethyl]phenol
CID 146646113
4-(trichloromethyl)phenol
CID 21200855
2-amino-2-(4-hydroxyphenyl)pent-4-ynamide
CID 57090520
1-(4-hydroxyphenyl)ethane-1,1-diol
CID 137436479
(4-hydroxyphenyl)methanetriol
CID 57197766
4-(3-aminopentan-3-yl)phenol
CID 23621887
4-[(2R)-2-aminobutan-2-yl]phenol
CID 130649235
4-(2-amino-1,1-difluoro-2-methylpropyl)phenol
CID 105453346
4-[5-(4-hydroxyphenyl)-3,3-bis[2-(4-hydroxyphenyl)ethynyl]penta-1,4-diynyl]phenol
CID 157453096
4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol
CID 634278
4-[1,1,2,2-tetrafluoro-2-(4-hydroxyphenyl)ethyl]phenol
CID 11369659
4-tert-butylphenol;cobalt
CID 174380967

Frequently Asked Questions

What is the IUPAC name of 4-[1-amino-1-(4-hydroxyphenyl)prop-2-ynyl]phenol?
The IUPAC name of 4-[1-amino-1-(4-hydroxyphenyl)prop-2-ynyl]phenol (CID 163652118) is 4-[1-amino-1-(4-hydroxyphenyl)prop-2-ynyl]phenol.
What is the SMILES notation for 4-[1-amino-1-(4-hydroxyphenyl)prop-2-ynyl]phenol?
The canonical SMILES for 4-[1-amino-1-(4-hydroxyphenyl)prop-2-ynyl]phenol is C#CC(N)(c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of 4-[1-amino-1-(4-hydroxyphenyl)prop-2-ynyl]phenol?
The InChIKey is INBLPOAGJDZYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c1-2-15(16,11-3-7-13(17)8-4-11)12-5-9-14(18)10-6-12/h1,3-10,17-18H,16H2.
What are the key properties of 4-[1-amino-1-(4-hydroxyphenyl)prop-2-ynyl]phenol?
4-[1-amino-1-(4-hydroxyphenyl)prop-2-ynyl]phenol has a molecular weight of 239.27 g/mol, XLogP of 1.93, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-amino-1-(4-hydroxyphenyl)prop-2-ynyl]phenol is sourced from PubChem (CID 163652118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).