3-(2-amino-1-hydroxypropyl)-4-chlorophenol

C9H12ClNO2 — CID 84670328

IUPAC3-(2-amino-1-hydroxypropyl)-4-chlorophenol
SMILESCC(N)C(O)c1cc(O)ccc1Cl
InChIInChI=1S/C9H12ClNO2/c1-5(11)9(13)7-4-6(12)2-3-8(7)10/h2-5,9,12-13H,11H2,1H3
InChIKeyAXOZLHUPYHJGCR-UHFFFAOYSA-N
MW201.65 g/mol
LogP1.43
Rot. Bonds2

About 3-(2-amino-1-hydroxypropyl)-4-chlorophenol

3-(2-amino-1-hydroxypropyl)-4-chlorophenol (PubChem CID 84670328) has the molecular formula C9H12ClNO2 and a molecular weight of 201.65 g/mol. Its IUPAC name is 3-(2-amino-1-hydroxypropyl)-4-chlorophenol.

Molecular Properties

Compound Name3-(2-amino-1-hydroxypropyl)-4-chlorophenol
PubChem CID84670328
Molecular FormulaC9H12ClNO2
Molecular Weight201.65 g/mol
Exact Mass201.06
IUPAC Name3-(2-amino-1-hydroxypropyl)-4-chlorophenol
SMILESCC(N)C(O)c1cc(O)ccc1Cl
InChIInChI=1S/C9H12ClNO2/c1-5(11)9(13)7-4-6(12)2-3-8(7)10/h2-5,9,12-13H,11H2,1H3
InChIKeyAXOZLHUPYHJGCR-UHFFFAOYSA-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

1-(2-chloro-5-hydroxyphenyl)-4-(methylamino)butane-1,2-diol
CID 171889809
methyl 2-(2-chloro-5-hydroxyphenyl)-2-hydroxyacetate
CID 117308533
2-amino-1-(4,5-dichloro-2-methylphenyl)propan-1-ol
CID 84796743
(1S,2R)-2-amino-1-(3,4-dichlorophenyl)propan-1-ol
CID 28743731
2-(2-amino-1-hydroxypropyl)-4-chloro-5-methylphenol
CID 84681407
(1S,2R)-2-amino-1-(5-chloro-2-methylphenyl)propan-1-ol
CID 131146815
4-[(1S,2S)-2-amino-1-hydroxypropyl]phenol;hydrochloride
CID 90673533
3-[(1S)-2-amino-1-hydroxypropyl]phenol
CID 70582339
2-[(1R,2S)-1-amino-2-hydroxypropyl]benzene-1,4-diol
CID 130731355
3-[(2S)-2-amino-1-hydroxypropyl]phenol
CID 102328188
1-[2-chloro-5-(difluoromethyl)phenyl]ethanol
CID 84674717
4-azido-1-(2-chloro-5-hydroxyphenyl)butane-1,2-diol
CID 171879057

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1-hydroxypropyl)-4-chlorophenol?
The IUPAC name of 3-(2-amino-1-hydroxypropyl)-4-chlorophenol (CID 84670328) is 3-(2-amino-1-hydroxypropyl)-4-chlorophenol.
What is the SMILES notation for 3-(2-amino-1-hydroxypropyl)-4-chlorophenol?
The canonical SMILES for 3-(2-amino-1-hydroxypropyl)-4-chlorophenol is CC(N)C(O)c1cc(O)ccc1Cl.
What is the InChIKey of 3-(2-amino-1-hydroxypropyl)-4-chlorophenol?
The InChIKey is AXOZLHUPYHJGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO2/c1-5(11)9(13)7-4-6(12)2-3-8(7)10/h2-5,9,12-13H,11H2,1H3.
What are the key properties of 3-(2-amino-1-hydroxypropyl)-4-chlorophenol?
3-(2-amino-1-hydroxypropyl)-4-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 3-(2-amino-1-hydroxypropyl)-4-chlorophenol is sourced from PubChem (CID 84670328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).