4-[(1S,2R)-1-amino-2-hydroxyhexyl]-2-chlorophenol;hydrochloride

C12H19Cl2NO2 — CID 171267478

IUPAC4-[(1S,2R)-1-amino-2-hydroxyhexyl]-2-chlorophenol;hydrochloride
SMILESCCCC[C@@H](O)[C@@H](N)c1ccc(O)c(Cl)c1.Cl
InChIInChI=1S/C12H18ClNO2.ClH/c1-2-3-4-11(16)12(14)8-5-6-10(15)9(13)7-8;/h5-7,11-12,15-16H,2-4,14H2,1H3;1H/t11-,12+;/m1./s1
InChIKeyOEGFTWKNURDHDW-LYCTWNKOSA-N
MW280.19 g/mol
LogP3.02
Rot. Bonds5

About 4-[(1S,2R)-1-amino-2-hydroxyhexyl]-2-chlorophenol;hydrochloride

4-[(1S,2R)-1-amino-2-hydroxyhexyl]-2-chlorophenol;hydrochloride (PubChem CID 171267478) has the molecular formula C12H19Cl2NO2 and a molecular weight of 280.19 g/mol. Its IUPAC name is 4-[(1S,2R)-1-amino-2-hydroxyhexyl]-2-chlorophenol;hydrochloride.

Molecular Properties

Compound Name4-[(1S,2R)-1-amino-2-hydroxyhexyl]-2-chlorophenol;hydrochloride
PubChem CID171267478
Molecular FormulaC12H19Cl2NO2
Molecular Weight280.19 g/mol
Exact Mass279.08
IUPAC Name4-[(1S,2R)-1-amino-2-hydroxyhexyl]-2-chlorophenol;hydrochloride
SMILESCCCC[C@@H](O)[C@@H](N)c1ccc(O)c(Cl)c1.Cl
InChIInChI=1S/C12H18ClNO2.ClH/c1-2-3-4-11(16)12(14)8-5-6-10(15)9(13)7-8;/h5-7,11-12,15-16H,2-4,14H2,1H3;1H/t11-,12+;/m1./s1
InChIKeyOEGFTWKNURDHDW-LYCTWNKOSA-N
XLogP3.02
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.19
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1R,2S)-1-amino-2-hydroxy-5-methylhexyl]-2-chlorophenol
CID 171261794
(1R,2S)-1-amino-1-[3-chloro-4-(trifluoromethoxy)phenyl]hexan-2-ol;hydrochloride
CID 171263537
5-[(1S,2R)-1-amino-2-hydroxyhexyl]benzene-1,3-diol;hydrochloride
CID 171266833
(1R,2S)-1-amino-1-(3-chloro-4-methylphenyl)pentan-2-ol;hydrochloride
CID 171262306
2-[(1R,2S)-1-amino-2-hydroxyhexyl]-3,5-dichlorophenol;hydrochloride
CID 171265912
4-[(1R,2S)-1-amino-2-hydroxypropyl]-2-chlorophenol
CID 131030201
5-[(1R,2S)-1-amino-2-hydroxyhexyl]benzene-1,3-diol
CID 171261146
5-[(1S,2R)-1-amino-2-hydroxyhexyl]benzene-1,3-diol
CID 171266832
(1S,2R)-1-amino-1-(4-iodophenyl)hexan-2-ol;hydrochloride
CID 171267629
ethyl (3S)-3-amino-3-(3-chloro-4-hydroxyphenyl)-2-fluoropropanoate;hydrochloride
CID 171247191
2-[(1R,2S)-1-amino-2-hydroxyhexyl]benzene-1,4-diol
CID 171261389
(1S,2R)-1-amino-1-(3-iodophenyl)hexan-2-ol;hydrochloride
CID 171269945

Frequently Asked Questions

What is the IUPAC name of 4-[(1S,2R)-1-amino-2-hydroxyhexyl]-2-chlorophenol;hydrochloride?
The IUPAC name of 4-[(1S,2R)-1-amino-2-hydroxyhexyl]-2-chlorophenol;hydrochloride (CID 171267478) is 4-[(1S,2R)-1-amino-2-hydroxyhexyl]-2-chlorophenol;hydrochloride.
What is the SMILES notation for 4-[(1S,2R)-1-amino-2-hydroxyhexyl]-2-chlorophenol;hydrochloride?
The canonical SMILES for 4-[(1S,2R)-1-amino-2-hydroxyhexyl]-2-chlorophenol;hydrochloride is CCCC[C@@H](O)[C@@H](N)c1ccc(O)c(Cl)c1.Cl.
What is the InChIKey of 4-[(1S,2R)-1-amino-2-hydroxyhexyl]-2-chlorophenol;hydrochloride?
The InChIKey is OEGFTWKNURDHDW-LYCTWNKOSA-N. The full InChI is InChI=1S/C12H18ClNO2.ClH/c1-2-3-4-11(16)12(14)8-5-6-10(15)9(13)7-8;/h5-7,11-12,15-16H,2-4,14H2,1H3;1H/t11-,12+;/m1./s1.
What are the key properties of 4-[(1S,2R)-1-amino-2-hydroxyhexyl]-2-chlorophenol;hydrochloride?
4-[(1S,2R)-1-amino-2-hydroxyhexyl]-2-chlorophenol;hydrochloride has a molecular weight of 280.19 g/mol, XLogP of 3.02, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,2R)-1-amino-2-hydroxyhexyl]-2-chlorophenol;hydrochloride is sourced from PubChem (CID 171267478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).