3-(2-amino-1-hydroxyethyl)phenol;hydrogen sulfite

C8H12NO5S- — CID 25267770

IUPAC3-(2-amino-1-hydroxyethyl)phenol;hydrogen sulfite
SMILESNCC(O)c1cccc(O)c1.O=S([O-])O
InChIInChI=1S/C8H11NO2.H2O3S/c9-5-8(11)6-2-1-3-7(10)4-6;1-4(2)3/h1-4,8,10-11H,5,9H2;(H2,1,2,3)/p-1
InChIKeyAKDPAPKKLDVQBC-UHFFFAOYSA-M
MW234.25 g/mol
LogP-0.28
Rot. Bonds2

About 3-(2-amino-1-hydroxyethyl)phenol;hydrogen sulfite

3-(2-amino-1-hydroxyethyl)phenol;hydrogen sulfite (PubChem CID 25267770) has the molecular formula C8H12NO5S- and a molecular weight of 234.25 g/mol. Its IUPAC name is 3-(2-amino-1-hydroxyethyl)phenol;hydrogen sulfite.

Molecular Properties

Compound Name3-(2-amino-1-hydroxyethyl)phenol;hydrogen sulfite
PubChem CID25267770
Molecular FormulaC8H12NO5S-
Molecular Weight234.25 g/mol
Exact Mass234.04
IUPAC Name3-(2-amino-1-hydroxyethyl)phenol;hydrogen sulfite
SMILESNCC(O)c1cccc(O)c1.O=S([O-])O
InChIInChI=1S/C8H11NO2.H2O3S/c9-5-8(11)6-2-1-3-7(10)4-6;1-4(2)3/h1-4,8,10-11H,5,9H2;(H2,1,2,3)/p-1
InChIKeyAKDPAPKKLDVQBC-UHFFFAOYSA-M
XLogP-0.28
TPSA126.84 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 5-0.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(2-amino-1-hydroxyethyl)phenol;sulfurous acid
CID 11413666
3-(2-amino-1-hydroxyethyl)phenol;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 25268111
(1S)-2-amino-1-(3-nitrophenyl)ethanol
CID 55264567
5-(2-amino-1-hydroxyethyl)benzene-1,3-diol
CID 12534519
(1R,3S)-3-amino-1-(3-hydroxyphenyl)butane-1,4-diol
CID 55263117
2-amino-1-(3-chlorophenyl)ethanol;carbonic acid
CID 67865938
3-(1-hydroxy-2-methylsulfonylethyl)phenol
CID 115029574
[2-hydroxy-2-(3-hydroxyphenyl)ethyl]carbamic acid
CID 70112963
3-(2-amino-1-pyrrolidin-1-ylethyl)phenol
CID 16790598
4-[(1S)-2-amino-1-hydroxyethyl]benzene-1,2-diol;(2R,3R)-2,3-dihydroxybutanedioate
CID 154731044
3-[(1S)-1-hydroxy-2-(methylamino)ethyl]phenol;hydrochloride
CID 16745125
2-amino-1-[3-(trifluoromethyl)phenyl]ethanol
CID 30514

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1-hydroxyethyl)phenol;hydrogen sulfite?
The IUPAC name of 3-(2-amino-1-hydroxyethyl)phenol;hydrogen sulfite (CID 25267770) is 3-(2-amino-1-hydroxyethyl)phenol;hydrogen sulfite.
What is the SMILES notation for 3-(2-amino-1-hydroxyethyl)phenol;hydrogen sulfite?
The canonical SMILES for 3-(2-amino-1-hydroxyethyl)phenol;hydrogen sulfite is NCC(O)c1cccc(O)c1.O=S([O-])O.
What is the InChIKey of 3-(2-amino-1-hydroxyethyl)phenol;hydrogen sulfite?
The InChIKey is AKDPAPKKLDVQBC-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H11NO2.H2O3S/c9-5-8(11)6-2-1-3-7(10)4-6;1-4(2)3/h1-4,8,10-11H,5,9H2;(H2,1,2,3)/p-1.
What are the key properties of 3-(2-amino-1-hydroxyethyl)phenol;hydrogen sulfite?
3-(2-amino-1-hydroxyethyl)phenol;hydrogen sulfite has a molecular weight of 234.25 g/mol, XLogP of -0.28, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-1-hydroxyethyl)phenol;hydrogen sulfite is sourced from PubChem (CID 25267770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).