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

C9H12ClNO2 — CID 131030201

IUPAC4-[(1R,2S)-1-amino-2-hydroxypropyl]-2-chlorophenol
SMILESC[C@H](O)[C@H](N)c1ccc(O)c(Cl)c1
InChIInChI=1S/C9H12ClNO2/c1-5(12)9(11)6-2-3-8(13)7(10)4-6/h2-5,9,12-13H,11H2,1H3/t5-,9-/m0/s1
InChIKeyDPNUKESIRUFRBZ-CDUCUWFYSA-N
MW201.65 g/mol
LogP1.43
Rot. Bonds2

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

4-[(1R,2S)-1-amino-2-hydroxypropyl]-2-chlorophenol (PubChem CID 131030201) has the molecular formula C9H12ClNO2 and a molecular weight of 201.65 g/mol. Its IUPAC name is 4-[(1R,2S)-1-amino-2-hydroxypropyl]-2-chlorophenol.

Molecular Properties

Compound Name4-[(1R,2S)-1-amino-2-hydroxypropyl]-2-chlorophenol
PubChem CID131030201
Molecular FormulaC9H12ClNO2
Molecular Weight201.65 g/mol
Exact Mass201.06
IUPAC Name4-[(1R,2S)-1-amino-2-hydroxypropyl]-2-chlorophenol
SMILESC[C@H](O)[C@H](N)c1ccc(O)c(Cl)c1
InChIInChI=1S/C9H12ClNO2/c1-5(12)9(11)6-2-3-8(13)7(10)4-6/h2-5,9,12-13H,11H2,1H3/t5-,9-/m0/s1
InChIKeyDPNUKESIRUFRBZ-CDUCUWFYSA-N
XLogP1.43
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.65
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1R,2S)-1-amino-2-hydroxypropyl]benzene-1,2-diol
CID 55295292
4-[(1R,2R)-1-amino-2-hydroxypropyl]benzene-1,2-diol
CID 131007796
4-[(1R,2S)-1-amino-2-hydroxy-5-methylhexyl]-2-chlorophenol
CID 171261794
(1R,2R)-1-amino-1-(3-chloro-4-fluorophenyl)propan-2-ol
CID 130663904
(1R,2S)-1-amino-1-(3-chloro-4-fluorophenyl)propan-2-ol;hydrochloride
CID 171159952
4-[(1R,2S)-1-amino-2-hydroxypropyl]-2,6-dichlorophenol
CID 131154403
4-[(1R,2S)-1-amino-2-hydroxypropyl]-2-fluorophenol
CID 55270469
4-[(1R,2R)-1-amino-3,3,3-trifluoro-2-hydroxypropyl]-2-chlorophenol
CID 171261786
4-[(1R,2S)-1-amino-2-hydroxypropyl]-2-bromophenol;hydrochloride
CID 171262231
2-chloro-4-(1-sulfanylethyl)phenol
CID 137430767
2,6-diamino-3,5-bis(3-chloro-4-hydroxyphenyl)heptan-4-one
CID 90106601
4-[(1S,2R)-1-amino-2-hydroxyhexyl]-2-chlorophenol;hydrochloride
CID 171267478

Frequently Asked Questions

What is the IUPAC name of 4-[(1R,2S)-1-amino-2-hydroxypropyl]-2-chlorophenol?
The IUPAC name of 4-[(1R,2S)-1-amino-2-hydroxypropyl]-2-chlorophenol (CID 131030201) is 4-[(1R,2S)-1-amino-2-hydroxypropyl]-2-chlorophenol.
What is the SMILES notation for 4-[(1R,2S)-1-amino-2-hydroxypropyl]-2-chlorophenol?
The canonical SMILES for 4-[(1R,2S)-1-amino-2-hydroxypropyl]-2-chlorophenol is C[C@H](O)[C@H](N)c1ccc(O)c(Cl)c1.
What is the InChIKey of 4-[(1R,2S)-1-amino-2-hydroxypropyl]-2-chlorophenol?
The InChIKey is DPNUKESIRUFRBZ-CDUCUWFYSA-N. The full InChI is InChI=1S/C9H12ClNO2/c1-5(12)9(11)6-2-3-8(13)7(10)4-6/h2-5,9,12-13H,11H2,1H3/t5-,9-/m0/s1.
What are the key properties of 4-[(1R,2S)-1-amino-2-hydroxypropyl]-2-chlorophenol?
4-[(1R,2S)-1-amino-2-hydroxypropyl]-2-chlorophenol has a molecular weight of 201.65 g/mol, XLogP of 1.43, 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-chlorophenol is sourced from PubChem (CID 131030201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).