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

C9H12ClNO2 — CID 131148303

IUPAC3-(2-amino-3-hydroxypropyl)-2-chlorophenol
SMILESNC(CO)Cc1cccc(O)c1Cl
InChIInChI=1S/C9H12ClNO2/c10-9-6(4-7(11)5-12)2-1-3-8(9)13/h1-3,7,12-13H,4-5,11H2
InChIKeyVHEIXJPBWMCSFZ-UHFFFAOYSA-N
MW201.65 g/mol
LogP0.91
Rot. Bonds3

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

3-(2-amino-3-hydroxypropyl)-2-chlorophenol (PubChem CID 131148303) has the molecular formula C9H12ClNO2 and a molecular weight of 201.65 g/mol. Its IUPAC name is 3-(2-amino-3-hydroxypropyl)-2-chlorophenol.

Molecular Properties

Compound Name3-(2-amino-3-hydroxypropyl)-2-chlorophenol
PubChem CID131148303
Molecular FormulaC9H12ClNO2
Molecular Weight201.65 g/mol
Exact Mass201.06
IUPAC Name3-(2-amino-3-hydroxypropyl)-2-chlorophenol
SMILESNC(CO)Cc1cccc(O)c1Cl
InChIInChI=1S/C9H12ClNO2/c10-9-6(4-7(11)5-12)2-1-3-8(9)13/h1-3,7,12-13H,4-5,11H2
InChIKeyVHEIXJPBWMCSFZ-UHFFFAOYSA-N
XLogP0.91
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 ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-3-hydroxypropyl)-2-chlorophenol?
The IUPAC name of 3-(2-amino-3-hydroxypropyl)-2-chlorophenol (CID 131148303) is 3-(2-amino-3-hydroxypropyl)-2-chlorophenol.
What is the SMILES notation for 3-(2-amino-3-hydroxypropyl)-2-chlorophenol?
The canonical SMILES for 3-(2-amino-3-hydroxypropyl)-2-chlorophenol is NC(CO)Cc1cccc(O)c1Cl.
What is the InChIKey of 3-(2-amino-3-hydroxypropyl)-2-chlorophenol?
The InChIKey is VHEIXJPBWMCSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO2/c10-9-6(4-7(11)5-12)2-1-3-8(9)13/h1-3,7,12-13H,4-5,11H2.
What are the key properties of 3-(2-amino-3-hydroxypropyl)-2-chlorophenol?
3-(2-amino-3-hydroxypropyl)-2-chlorophenol has a molecular weight of 201.65 g/mol, XLogP of 0.91, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-3-hydroxypropyl)-2-chlorophenol is sourced from PubChem (CID 131148303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).