2-[(1S,2R)-1-amino-2-hydroxypropyl]-3,5-dichlorophenol

C9H11Cl2NO2 — CID 131173726

IUPAC2-[(1S,2R)-1-amino-2-hydroxypropyl]-3,5-dichlorophenol
SMILESC[C@@H](O)[C@@H](N)c1c(O)cc(Cl)cc1Cl
InChIInChI=1S/C9H11Cl2NO2/c1-4(13)9(12)8-6(11)2-5(10)3-7(8)14/h2-4,9,13-14H,12H2,1H3/t4-,9-/m1/s1
InChIKeyGVGPTQSOVPRPCP-ALFREKQPSA-N
MW236.10 g/mol
LogP2.08
Rot. Bonds2

About 2-[(1S,2R)-1-amino-2-hydroxypropyl]-3,5-dichlorophenol

2-[(1S,2R)-1-amino-2-hydroxypropyl]-3,5-dichlorophenol (PubChem CID 131173726) has the molecular formula C9H11Cl2NO2 and a molecular weight of 236.10 g/mol. Its IUPAC name is 2-[(1S,2R)-1-amino-2-hydroxypropyl]-3,5-dichlorophenol.

Molecular Properties

Compound Name2-[(1S,2R)-1-amino-2-hydroxypropyl]-3,5-dichlorophenol
PubChem CID131173726
Molecular FormulaC9H11Cl2NO2
Molecular Weight236.10 g/mol
Exact Mass235.02
IUPAC Name2-[(1S,2R)-1-amino-2-hydroxypropyl]-3,5-dichlorophenol
SMILESC[C@@H](O)[C@@H](N)c1c(O)cc(Cl)cc1Cl
InChIInChI=1S/C9H11Cl2NO2/c1-4(13)9(12)8-6(11)2-5(10)3-7(8)14/h2-4,9,13-14H,12H2,1H3/t4-,9-/m1/s1
InChIKeyGVGPTQSOVPRPCP-ALFREKQPSA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

3,5-dichloro-2-(1-hydroxyethyl)phenol
CID 130032494
2-[(1R)-1-amino-2-hydroxypropyl]benzene-1,3,5-triol
CID 130605710
2-[(1R,2S)-1-amino-2-hydroxyhexyl]-3,5-dichlorophenol;hydrochloride
CID 171265912
1-amino-1-(2,3,5-trichlorophenyl)propan-2-ol
CID 130060995
(1S,2R)-1-amino-1-(2-amino-3,5-dichlorophenyl)propan-2-ol
CID 130713041
(2S)-2-amino-2-(2,4-dichloro-6-hydroxyphenyl)acetic acid
CID 66512891
4-[(1R,2S)-1-amino-2-hydroxypropyl]-2,6-dichlorophenol
CID 131154403
methyl (2S)-2-amino-2-(2,4-dichloro-6-hydroxyphenyl)acetate;hydrochloride
CID 171211605
2-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-3,5-dichlorophenol
CID 131582381
4-[(1R,2S)-1-amino-2-hydroxypropyl]-2-chlorophenol
CID 131030201
(1S,2R)-1-amino-1-(2,6-dichloro-3-fluorophenyl)propan-2-ol
CID 130618254
(1R,2S)-1-amino-1-(2-chloro-6-fluorophenyl)propan-2-ol;hydrochloride
CID 171160070

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2R)-1-amino-2-hydroxypropyl]-3,5-dichlorophenol?
The IUPAC name of 2-[(1S,2R)-1-amino-2-hydroxypropyl]-3,5-dichlorophenol (CID 131173726) is 2-[(1S,2R)-1-amino-2-hydroxypropyl]-3,5-dichlorophenol.
What is the SMILES notation for 2-[(1S,2R)-1-amino-2-hydroxypropyl]-3,5-dichlorophenol?
The canonical SMILES for 2-[(1S,2R)-1-amino-2-hydroxypropyl]-3,5-dichlorophenol is C[C@@H](O)[C@@H](N)c1c(O)cc(Cl)cc1Cl.
What is the InChIKey of 2-[(1S,2R)-1-amino-2-hydroxypropyl]-3,5-dichlorophenol?
The InChIKey is GVGPTQSOVPRPCP-ALFREKQPSA-N. The full InChI is InChI=1S/C9H11Cl2NO2/c1-4(13)9(12)8-6(11)2-5(10)3-7(8)14/h2-4,9,13-14H,12H2,1H3/t4-,9-/m1/s1.
What are the key properties of 2-[(1S,2R)-1-amino-2-hydroxypropyl]-3,5-dichlorophenol?
2-[(1S,2R)-1-amino-2-hydroxypropyl]-3,5-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 2-[(1S,2R)-1-amino-2-hydroxypropyl]-3,5-dichlorophenol is sourced from PubChem (CID 131173726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).