4-(1-amino-2-hydroxyethyl)phenol;hydrochloride

C8H12ClNO2 — CID 70405192

IUPAC4-(1-amino-2-hydroxyethyl)phenol;hydrochloride
SMILESCl.NC(CO)c1ccc(O)cc1
InChIInChI=1S/C8H11NO2.ClH/c9-8(5-10)6-1-3-7(11)4-2-6;/h1-4,8,10-11H,5,9H2;1H
InChIKeyYUEKJBCPERBCDN-UHFFFAOYSA-N
MW189.64 g/mol
LogP0.81
Rot. Bonds2

About 4-(1-amino-2-hydroxyethyl)phenol;hydrochloride

4-(1-amino-2-hydroxyethyl)phenol;hydrochloride (PubChem CID 70405192) has the molecular formula C8H12ClNO2 and a molecular weight of 189.64 g/mol. Its IUPAC name is 4-(1-amino-2-hydroxyethyl)phenol;hydrochloride.

Molecular Properties

Compound Name4-(1-amino-2-hydroxyethyl)phenol;hydrochloride
PubChem CID70405192
Molecular FormulaC8H12ClNO2
Molecular Weight189.64 g/mol
Exact Mass189.06
IUPAC Name4-(1-amino-2-hydroxyethyl)phenol;hydrochloride
SMILESCl.NC(CO)c1ccc(O)cc1
InChIInChI=1S/C8H11NO2.ClH/c9-8(5-10)6-1-3-7(11)4-2-6;/h1-4,8,10-11H,5,9H2;1H
InChIKeyYUEKJBCPERBCDN-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 4-(1-amino-2-hydroxyethyl)phenol;hydrochloride?
The IUPAC name of 4-(1-amino-2-hydroxyethyl)phenol;hydrochloride (CID 70405192) is 4-(1-amino-2-hydroxyethyl)phenol;hydrochloride.
What is the SMILES notation for 4-(1-amino-2-hydroxyethyl)phenol;hydrochloride?
The canonical SMILES for 4-(1-amino-2-hydroxyethyl)phenol;hydrochloride is Cl.NC(CO)c1ccc(O)cc1.
What is the InChIKey of 4-(1-amino-2-hydroxyethyl)phenol;hydrochloride?
The InChIKey is YUEKJBCPERBCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2.ClH/c9-8(5-10)6-1-3-7(11)4-2-6;/h1-4,8,10-11H,5,9H2;1H.
What are the key properties of 4-(1-amino-2-hydroxyethyl)phenol;hydrochloride?
4-(1-amino-2-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 4-(1-amino-2-hydroxyethyl)phenol;hydrochloride is sourced from PubChem (CID 70405192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).