4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol;hydrochloride

C8H12ClNO3 — CID 11672905

IUPAC4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol;hydrochloride
SMILESCl.NC[C@H](O)c1ccc(O)c(O)c1
InChIInChI=1S/C8H11NO3.ClH/c9-4-8(12)5-1-2-6(10)7(11)3-5;/h1-3,8,10-12H,4,9H2;1H/t8-;/m0./s1
InChIKeyFQTFHMSZCSUVEU-QRPNPIFTSA-N
MW205.64 g/mol
LogP0.51
Rot. Bonds2

About 4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol;hydrochloride

4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol;hydrochloride (PubChem CID 11672905) has the molecular formula C8H12ClNO3 and a molecular weight of 205.64 g/mol. Its IUPAC name is 4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol;hydrochloride.

Molecular Properties

Compound Name4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol;hydrochloride
PubChem CID11672905
Molecular FormulaC8H12ClNO3
Molecular Weight205.64 g/mol
Exact Mass205.05
IUPAC Name4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol;hydrochloride
SMILESCl.NC[C@H](O)c1ccc(O)c(O)c1
InChIInChI=1S/C8H11NO3.ClH/c9-4-8(12)5-1-2-6(10)7(11)3-5;/h1-3,8,10-12H,4,9H2;1H/t8-;/m0./s1
InChIKeyFQTFHMSZCSUVEU-QRPNPIFTSA-N
XLogP0.51
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.64
LogP ≤ 50.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol;hydrochloride?
The IUPAC name of 4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol;hydrochloride (CID 11672905) is 4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol;hydrochloride.
What is the SMILES notation for 4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol;hydrochloride?
The canonical SMILES for 4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol;hydrochloride is Cl.NC[C@H](O)c1ccc(O)c(O)c1.
What is the InChIKey of 4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol;hydrochloride?
The InChIKey is FQTFHMSZCSUVEU-QRPNPIFTSA-N. The full InChI is InChI=1S/C8H11NO3.ClH/c9-4-8(12)5-1-2-6(10)7(11)3-5;/h1-3,8,10-12H,4,9H2;1H/t8-;/m0./s1.
What are the key properties of 4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol;hydrochloride?
4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol;hydrochloride has a molecular weight of 205.64 g/mol, XLogP of 0.51, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol;hydrochloride is sourced from PubChem (CID 11672905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).