2-amino-1-(4-hydroxyphenyl)ethanone;dihydrochloride

C8H11Cl2NO2 — CID 131675810

IUPAC2-amino-1-(4-hydroxyphenyl)ethanone;dihydrochloride
SMILESCl.Cl.NCC(=O)c1ccc(O)cc1
InChIInChI=1S/C8H9NO2.2ClH/c9-5-8(11)6-1-3-7(10)4-2-6;;/h1-4,10H,5,9H2;2*1H
InChIKeyBNTISYOCKWGINM-UHFFFAOYSA-N
MW224.09 g/mol
LogP1.38
Rot. Bonds2

About 2-amino-1-(4-hydroxyphenyl)ethanone;dihydrochloride

2-amino-1-(4-hydroxyphenyl)ethanone;dihydrochloride (PubChem CID 131675810) has the molecular formula C8H11Cl2NO2 and a molecular weight of 224.09 g/mol. Its IUPAC name is 2-amino-1-(4-hydroxyphenyl)ethanone;dihydrochloride.

Molecular Properties

Compound Name2-amino-1-(4-hydroxyphenyl)ethanone;dihydrochloride
PubChem CID131675810
Molecular FormulaC8H11Cl2NO2
Molecular Weight224.09 g/mol
Exact Mass223.02
IUPAC Name2-amino-1-(4-hydroxyphenyl)ethanone;dihydrochloride
SMILESCl.Cl.NCC(=O)c1ccc(O)cc1
InChIInChI=1S/C8H9NO2.2ClH/c9-5-8(11)6-1-3-7(10)4-2-6;;/h1-4,10H,5,9H2;2*1H
InChIKeyBNTISYOCKWGINM-UHFFFAOYSA-N
XLogP1.38
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.09
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(4-chlorophenyl)ethanone;hydrochloride
CID 2798211
2-amino-1-[4-(trideuteriomethyl)phenyl]ethanone;hydrochloride
CID 71313244
4-[4-(2-aminoacetyl)phenyl]benzoic acid
CID 170860582
2-amino-1-(4-nitrosophenyl)ethanone
CID 149398034
2-amino-1-(4-hydrazinylphenyl)ethanone
CID 174286763
2-amino-1-(4-ethylphenyl)ethanone
CID 19427259
sodium 2-bromo-1-(4-hydroxyphenyl)ethanone
CID 22027058
ethane;1-(4-hydroxyphenyl)propan-1-one
CID 144611752
2-amino-1-(4-methylsulfonylphenyl)ethanone
CID 2763582
2-amino-1-(4-chlorophenyl)ethanone;chlorobenzene
CID 174473009
2-amino-1-(4-propoxyphenyl)ethanone;hydrochloride
CID 50988222
2-amino-1-(4-butoxyphenyl)ethanone;hydrochloride
CID 173461436

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-hydroxyphenyl)ethanone;dihydrochloride?
The IUPAC name of 2-amino-1-(4-hydroxyphenyl)ethanone;dihydrochloride (CID 131675810) is 2-amino-1-(4-hydroxyphenyl)ethanone;dihydrochloride.
What is the SMILES notation for 2-amino-1-(4-hydroxyphenyl)ethanone;dihydrochloride?
The canonical SMILES for 2-amino-1-(4-hydroxyphenyl)ethanone;dihydrochloride is Cl.Cl.NCC(=O)c1ccc(O)cc1.
What is the InChIKey of 2-amino-1-(4-hydroxyphenyl)ethanone;dihydrochloride?
The InChIKey is BNTISYOCKWGINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2.2ClH/c9-5-8(11)6-1-3-7(10)4-2-6;;/h1-4,10H,5,9H2;2*1H.
What are the key properties of 2-amino-1-(4-hydroxyphenyl)ethanone;dihydrochloride?
2-amino-1-(4-hydroxyphenyl)ethanone;dihydrochloride has a molecular weight of 224.09 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-hydroxyphenyl)ethanone;dihydrochloride is sourced from PubChem (CID 131675810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).