2-(4-hydroxyphenyl)ethylazanium

C8H12NO+ — CID 5249538

IUPAC2-(4-hydroxyphenyl)ethylazanium
SMILES[NH3+]CCc1ccc(O)cc1
InChIInChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2/p+1
InChIKeyDZGWFCGJZKJUFP-UHFFFAOYSA-O
MW138.19 g/mol
LogP0.18
Rot. Bonds2

About 2-(4-hydroxyphenyl)ethylazanium

2-(4-hydroxyphenyl)ethylazanium (PubChem CID 5249538) has the molecular formula C8H12NO+ and a molecular weight of 138.19 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)ethylazanium.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)ethylazanium
PubChem CID5249538
Molecular FormulaC8H12NO+
Molecular Weight138.19 g/mol
Exact Mass138.09
IUPAC Name2-(4-hydroxyphenyl)ethylazanium
SMILES[NH3+]CCc1ccc(O)cc1
InChIInChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2/p+1
InChIKeyDZGWFCGJZKJUFP-UHFFFAOYSA-O
XLogP0.18
TPSA47.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.19
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-[2-[4-[4-[2-(4-hydroxyphenyl)ethyl]phenyl]phenyl]ethyl]phenol
CID 171715473
(4-hydroxyphenyl)methylazanium bromide
CID 46835682
4-[11-(4-hydroxyphenyl)undecyl]phenol
CID 23191182
4-[3-[3-(4-hydroxyphenyl)propylamino]propyl]phenol
CID 101010463
4-[(4-hydroxyphenyl)methyl]phenol
CID 12111
4-(2-azaniumylethyl)benzoate
CID 6951257
4-(3-aminopropyl)phenol
CID 4574248
4-(3-fluoropropyl)phenol
CID 68765958
ethane;4-[3-[4-[4-[3-(4-hydroxyphenyl)propyl]phenyl]phenyl]propyl]phenol
CID 91387150
CID 10735648
CID 10735648
4-butylphenol;tungsten
CID 174758928
4-(12-hydroxydodecyl)phenol
CID 139809285

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)ethylazanium?
The IUPAC name of 2-(4-hydroxyphenyl)ethylazanium (CID 5249538) is 2-(4-hydroxyphenyl)ethylazanium.
What is the SMILES notation for 2-(4-hydroxyphenyl)ethylazanium?
The canonical SMILES for 2-(4-hydroxyphenyl)ethylazanium is [NH3+]CCc1ccc(O)cc1.
What is the InChIKey of 2-(4-hydroxyphenyl)ethylazanium?
The InChIKey is DZGWFCGJZKJUFP-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2/p+1.
What are the key properties of 2-(4-hydroxyphenyl)ethylazanium?
2-(4-hydroxyphenyl)ethylazanium has a molecular weight of 138.19 g/mol, XLogP of 0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)ethylazanium is sourced from PubChem (CID 5249538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).