4-[(1R,2S)-1-amino-2-hydroxypropyl]-2,6-dichlorophenol

C9H11Cl2NO2 — CID 131154403

IUPAC4-[(1R,2S)-1-amino-2-hydroxypropyl]-2,6-dichlorophenol
SMILESC[C@H](O)[C@H](N)c1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C9H11Cl2NO2/c1-4(13)8(12)5-2-6(10)9(14)7(11)3-5/h2-4,8,13-14H,12H2,1H3/t4-,8-/m0/s1
InChIKeyZRWOEBOQRLOHOJ-NVNXEXLPSA-N
MW236.10 g/mol
LogP2.08
Rot. Bonds2

About 4-[(1R,2S)-1-amino-2-hydroxypropyl]-2,6-dichlorophenol

4-[(1R,2S)-1-amino-2-hydroxypropyl]-2,6-dichlorophenol (PubChem CID 131154403) has the molecular formula C9H11Cl2NO2 and a molecular weight of 236.10 g/mol. Its IUPAC name is 4-[(1R,2S)-1-amino-2-hydroxypropyl]-2,6-dichlorophenol.

Molecular Properties

Compound Name4-[(1R,2S)-1-amino-2-hydroxypropyl]-2,6-dichlorophenol
PubChem CID131154403
Molecular FormulaC9H11Cl2NO2
Molecular Weight236.10 g/mol
Exact Mass235.02
IUPAC Name4-[(1R,2S)-1-amino-2-hydroxypropyl]-2,6-dichlorophenol
SMILESC[C@H](O)[C@H](N)c1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C9H11Cl2NO2/c1-4(13)8(12)5-2-6(10)9(14)7(11)3-5/h2-4,8,13-14H,12H2,1H3/t4-,8-/m0/s1
InChIKeyZRWOEBOQRLOHOJ-NVNXEXLPSA-N
XLogP2.08
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.10
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1R,2S)-1-amino-2-hydroxypropyl]-2-chlorophenol
CID 131030201
(1S)-1-amino-1-(4-amino-3-bromo-5-chlorophenyl)propan-2-ol
CID 130707255
4-[(1R,2S)-1-amino-2-hydroxypropyl]-2,6-dibromophenol;hydrochloride
CID 171261157
4-[(1S,2R)-1-amino-2-hydroxypropyl]-2,6-dibromophenol;hydrochloride
CID 171266843
(1R,2R)-1-amino-1-(3-chloro-4-fluorophenyl)propan-2-ol
CID 130663904
4-[(1S,2R)-1-amino-2-hydroxypropyl]-2,6-ditert-butylphenol
CID 171162043
(1S,2S)-1-amino-1-(3-chloro-5-methylphenyl)propan-2-ol
CID 130731831
(1R,2S)-1-amino-1-(3-chloro-4-fluorophenyl)propan-2-ol;hydrochloride
CID 171159952
(1R,2R)-1-amino-1-(3,5-dimethylphenyl)propan-2-ol
CID 130921857
(1R,2S)-1-amino-1-(3,5-dimethylphenyl)propan-2-ol
CID 55295473
(1R,2S)-1-amino-1-(3-chloro-5-fluorophenyl)propan-2-ol
CID 130683102
(1R)-1-amino-1-(4-chlorophenyl)propan-2-ol
CID 130676173

Frequently Asked Questions

What is the IUPAC name of 4-[(1R,2S)-1-amino-2-hydroxypropyl]-2,6-dichlorophenol?
The IUPAC name of 4-[(1R,2S)-1-amino-2-hydroxypropyl]-2,6-dichlorophenol (CID 131154403) is 4-[(1R,2S)-1-amino-2-hydroxypropyl]-2,6-dichlorophenol.
What is the SMILES notation for 4-[(1R,2S)-1-amino-2-hydroxypropyl]-2,6-dichlorophenol?
The canonical SMILES for 4-[(1R,2S)-1-amino-2-hydroxypropyl]-2,6-dichlorophenol is C[C@H](O)[C@H](N)c1cc(Cl)c(O)c(Cl)c1.
What is the InChIKey of 4-[(1R,2S)-1-amino-2-hydroxypropyl]-2,6-dichlorophenol?
The InChIKey is ZRWOEBOQRLOHOJ-NVNXEXLPSA-N. The full InChI is InChI=1S/C9H11Cl2NO2/c1-4(13)8(12)5-2-6(10)9(14)7(11)3-5/h2-4,8,13-14H,12H2,1H3/t4-,8-/m0/s1.
What are the key properties of 4-[(1R,2S)-1-amino-2-hydroxypropyl]-2,6-dichlorophenol?
4-[(1R,2S)-1-amino-2-hydroxypropyl]-2,6-dichlorophenol has a molecular weight of 236.10 g/mol, XLogP of 2.08, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,2S)-1-amino-2-hydroxypropyl]-2,6-dichlorophenol is sourced from PubChem (CID 131154403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).