4-[(1R)-1-amino-3-hydroxypropyl]-2-chlorophenol

C9H12ClNO2 — CID 130691653

IUPAC4-[(1R)-1-amino-3-hydroxypropyl]-2-chlorophenol
SMILESN[C@H](CCO)c1ccc(O)c(Cl)c1
InChIInChI=1S/C9H12ClNO2/c10-7-5-6(1-2-9(7)13)8(11)3-4-12/h1-2,5,8,12-13H,3-4,11H2/t8-/m1/s1
InChIKeyCFSVZZYTHYDYFF-MRVPVSSYSA-N
MW201.65 g/mol
LogP1.43
Rot. Bonds3

About 4-[(1R)-1-amino-3-hydroxypropyl]-2-chlorophenol

4-[(1R)-1-amino-3-hydroxypropyl]-2-chlorophenol (PubChem CID 130691653) has the molecular formula C9H12ClNO2 and a molecular weight of 201.65 g/mol. Its IUPAC name is 4-[(1R)-1-amino-3-hydroxypropyl]-2-chlorophenol.

Molecular Properties

Compound Name4-[(1R)-1-amino-3-hydroxypropyl]-2-chlorophenol
PubChem CID130691653
Molecular FormulaC9H12ClNO2
Molecular Weight201.65 g/mol
Exact Mass201.06
IUPAC Name4-[(1R)-1-amino-3-hydroxypropyl]-2-chlorophenol
SMILESN[C@H](CCO)c1ccc(O)c(Cl)c1
InChIInChI=1S/C9H12ClNO2/c10-7-5-6(1-2-9(7)13)8(11)3-4-12/h1-2,5,8,12-13H,3-4,11H2/t8-/m1/s1
InChIKeyCFSVZZYTHYDYFF-MRVPVSSYSA-N
XLogP1.43
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
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-[(1S)-1-amino-2-hydroxyethyl]-2-chlorophenol
CID 55277962
3-amino-3-(3-chloro-4-fluorophenyl)propan-1-ol
CID 64814499
4-(1-amino-3-hydroxypropyl)-2-methylphenol
CID 55282245
5-(1-amino-3-hydroxypropyl)-2-iodophenol
CID 131028751
3-amino-3-(4-chloro-3-fluorophenyl)propan-1-ol;hydrochloride
CID 170874594
5-(1-amino-3-hydroxypropyl)-2-iodophenol;hydrochloride
CID 170874902
5-[(1S)-1-amino-3-hydroxypropyl]-2-fluorophenol
CID 55270722
3-amino-3-(4-chlorophenyl)propan-1-ol
CID 17039435
4-[(1S)-1-amino-3,3-difluoropropyl]-2-chlorophenol;hydrochloride
CID 171312952
4-[(1R)-1-aminobut-3-enyl]-2-chlorophenol
CID 55272146
(4S)-4-amino-4-(3-chloro-4-fluorophenyl)butan-1-ol
CID 171220953
(4R)-4-amino-4-(3-chloro-4-methylphenyl)butan-1-ol
CID 171204447

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-amino-3-hydroxypropyl]-2-chlorophenol?
The IUPAC name of 4-[(1R)-1-amino-3-hydroxypropyl]-2-chlorophenol (CID 130691653) is 4-[(1R)-1-amino-3-hydroxypropyl]-2-chlorophenol.
What is the SMILES notation for 4-[(1R)-1-amino-3-hydroxypropyl]-2-chlorophenol?
The canonical SMILES for 4-[(1R)-1-amino-3-hydroxypropyl]-2-chlorophenol is N[C@H](CCO)c1ccc(O)c(Cl)c1.
What is the InChIKey of 4-[(1R)-1-amino-3-hydroxypropyl]-2-chlorophenol?
The InChIKey is CFSVZZYTHYDYFF-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H12ClNO2/c10-7-5-6(1-2-9(7)13)8(11)3-4-12/h1-2,5,8,12-13H,3-4,11H2/t8-/m1/s1.
What are the key properties of 4-[(1R)-1-amino-3-hydroxypropyl]-2-chlorophenol?
4-[(1R)-1-amino-3-hydroxypropyl]-2-chlorophenol has a molecular weight of 201.65 g/mol, XLogP of 1.43, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-amino-3-hydroxypropyl]-2-chlorophenol is sourced from PubChem (CID 130691653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).