3-(2-amino-1-hydroxyethyl)phenol;hydrochloride

C8H12ClNO2 — CID 3016408

IUPAC3-(2-amino-1-hydroxyethyl)phenol;hydrochloride
SMILESCl.NCC(O)c1cccc(O)c1
InChIInChI=1S/C8H11NO2.ClH/c9-5-8(11)6-2-1-3-7(10)4-6;/h1-4,8,10-11H,5,9H2;1H
InChIKeyOWMFSWZUAWKDRR-UHFFFAOYSA-N
MW189.64 g/mol
LogP0.81
Rot. Bonds2

About 3-(2-amino-1-hydroxyethyl)phenol;hydrochloride

3-(2-amino-1-hydroxyethyl)phenol;hydrochloride (PubChem CID 3016408) has the molecular formula C8H12ClNO2 and a molecular weight of 189.64 g/mol. Its IUPAC name is 3-(2-amino-1-hydroxyethyl)phenol;hydrochloride.

Molecular Properties

Compound Name3-(2-amino-1-hydroxyethyl)phenol;hydrochloride
PubChem CID3016408
Molecular FormulaC8H12ClNO2
Molecular Weight189.64 g/mol
Exact Mass189.06
IUPAC Name3-(2-amino-1-hydroxyethyl)phenol;hydrochloride
SMILESCl.NCC(O)c1cccc(O)c1
InChIInChI=1S/C8H11NO2.ClH/c9-5-8(11)6-2-1-3-7(10)4-6;/h1-4,8,10-11H,5,9H2;1H
InChIKeyOWMFSWZUAWKDRR-UHFFFAOYSA-N
XLogP0.81
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.64
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1-hydroxyethyl)phenol;hydrochloride?
The IUPAC name of 3-(2-amino-1-hydroxyethyl)phenol;hydrochloride (CID 3016408) is 3-(2-amino-1-hydroxyethyl)phenol;hydrochloride.
What is the SMILES notation for 3-(2-amino-1-hydroxyethyl)phenol;hydrochloride?
The canonical SMILES for 3-(2-amino-1-hydroxyethyl)phenol;hydrochloride is Cl.NCC(O)c1cccc(O)c1.
What is the InChIKey of 3-(2-amino-1-hydroxyethyl)phenol;hydrochloride?
The InChIKey is OWMFSWZUAWKDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2.ClH/c9-5-8(11)6-2-1-3-7(10)4-6;/h1-4,8,10-11H,5,9H2;1H.
What are the key properties of 3-(2-amino-1-hydroxyethyl)phenol;hydrochloride?
3-(2-amino-1-hydroxyethyl)phenol;hydrochloride has a molecular weight of 189.64 g/mol, XLogP of 0.81, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-1-hydroxyethyl)phenol;hydrochloride is sourced from PubChem (CID 3016408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).