4-[(1S)-1-amino-2-hydroxyethyl]-2-chlorophenol

C8H10ClNO2 — CID 55277962

IUPAC4-[(1S)-1-amino-2-hydroxyethyl]-2-chlorophenol
SMILESN[C@H](CO)c1ccc(O)c(Cl)c1
InChIInChI=1S/C8H10ClNO2/c9-6-3-5(7(10)4-11)1-2-8(6)12/h1-3,7,11-12H,4,10H2/t7-/m1/s1
InChIKeyBXFJZKMWVRALEU-SSDOTTSWSA-N
MW187.63 g/mol
LogP1.04
Rot. Bonds2

About 4-[(1S)-1-amino-2-hydroxyethyl]-2-chlorophenol

4-[(1S)-1-amino-2-hydroxyethyl]-2-chlorophenol (PubChem CID 55277962) has the molecular formula C8H10ClNO2 and a molecular weight of 187.63 g/mol. Its IUPAC name is 4-[(1S)-1-amino-2-hydroxyethyl]-2-chlorophenol.

Molecular Properties

Compound Name4-[(1S)-1-amino-2-hydroxyethyl]-2-chlorophenol
PubChem CID55277962
Molecular FormulaC8H10ClNO2
Molecular Weight187.63 g/mol
Exact Mass187.04
IUPAC Name4-[(1S)-1-amino-2-hydroxyethyl]-2-chlorophenol
SMILESN[C@H](CO)c1ccc(O)c(Cl)c1
InChIInChI=1S/C8H10ClNO2/c9-6-3-5(7(10)4-11)1-2-8(6)12/h1-3,7,11-12H,4,10H2/t7-/m1/s1
InChIKeyBXFJZKMWVRALEU-SSDOTTSWSA-N
XLogP1.04
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.63
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1R)-1-amino-3-hydroxypropyl]-2-chlorophenol
CID 130691653
(2S)-2-amino-2-(3,4-dichlorophenyl)ethanol;hydrochloride
CID 74889971
2-amino-2-(3-chloro-4-fluorophenyl)ethanol
CID 3564183
2-amino-2-(4-bromo-3-chlorophenyl)ethanol
CID 77130463
4-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-2-chlorophenol
CID 131387812
4-(1-amino-2-hydroxyethyl)-2-fluorophenol
CID 55282986
4-[(1R)-1-aminobut-3-enyl]-2-chlorophenol
CID 55272146
4-[(1S)-1-amino-3,3-difluoropropyl]-2-chlorophenol;hydrochloride
CID 171312952
(2R)-2-amino-2-(3-chloro-4-methoxyphenyl)ethanol
CID 42579768
2-amino-2-(4-chloro-3-fluorophenyl)ethanol;hydrochloride
CID 71757971
5-(1-amino-2-hydroxyethyl)-2-bromophenol
CID 84795164
5-[(1R)-1-amino-2-hydroxyethyl]-2-hydroxybenzonitrile
CID 66513587

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-amino-2-hydroxyethyl]-2-chlorophenol?
The IUPAC name of 4-[(1S)-1-amino-2-hydroxyethyl]-2-chlorophenol (CID 55277962) is 4-[(1S)-1-amino-2-hydroxyethyl]-2-chlorophenol.
What is the SMILES notation for 4-[(1S)-1-amino-2-hydroxyethyl]-2-chlorophenol?
The canonical SMILES for 4-[(1S)-1-amino-2-hydroxyethyl]-2-chlorophenol is N[C@H](CO)c1ccc(O)c(Cl)c1.
What is the InChIKey of 4-[(1S)-1-amino-2-hydroxyethyl]-2-chlorophenol?
The InChIKey is BXFJZKMWVRALEU-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H10ClNO2/c9-6-3-5(7(10)4-11)1-2-8(6)12/h1-3,7,11-12H,4,10H2/t7-/m1/s1.
What are the key properties of 4-[(1S)-1-amino-2-hydroxyethyl]-2-chlorophenol?
4-[(1S)-1-amino-2-hydroxyethyl]-2-chlorophenol has a molecular weight of 187.63 g/mol, XLogP of 1.04, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-amino-2-hydroxyethyl]-2-chlorophenol is sourced from PubChem (CID 55277962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).