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

C9H13NO2 — CID 6931150

IUPAC4-[(1S,2R)-2-amino-1-hydroxypropyl]phenol
SMILESC[C@@H](N)[C@@H](O)c1ccc(O)cc1
InChIInChI=1S/C9H13NO2/c1-6(10)9(12)7-2-4-8(11)5-3-7/h2-6,9,11-12H,10H2,1H3/t6-,9-/m1/s1
InChIKeyJAYBQRKXEFDRER-HZGVNTEJSA-N
MW167.21 g/mol
LogP0.77
Rot. Bonds2

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

4-[(1S,2R)-2-amino-1-hydroxypropyl]phenol (PubChem CID 6931150) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 4-[(1S,2R)-2-amino-1-hydroxypropyl]phenol.

Molecular Properties

Compound Name4-[(1S,2R)-2-amino-1-hydroxypropyl]phenol
PubChem CID6931150
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name4-[(1S,2R)-2-amino-1-hydroxypropyl]phenol
SMILESC[C@@H](N)[C@@H](O)c1ccc(O)cc1
InChIInChI=1S/C9H13NO2/c1-6(10)9(12)7-2-4-8(11)5-3-7/h2-6,9,11-12H,10H2,1H3/t6-,9-/m1/s1
InChIKeyJAYBQRKXEFDRER-HZGVNTEJSA-N
XLogP0.77
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(1S,2R)-2-amino-1-hydroxypropyl]phenol?
The IUPAC name of 4-[(1S,2R)-2-amino-1-hydroxypropyl]phenol (CID 6931150) is 4-[(1S,2R)-2-amino-1-hydroxypropyl]phenol.
What is the SMILES notation for 4-[(1S,2R)-2-amino-1-hydroxypropyl]phenol?
The canonical SMILES for 4-[(1S,2R)-2-amino-1-hydroxypropyl]phenol is C[C@@H](N)[C@@H](O)c1ccc(O)cc1.
What is the InChIKey of 4-[(1S,2R)-2-amino-1-hydroxypropyl]phenol?
The InChIKey is JAYBQRKXEFDRER-HZGVNTEJSA-N. The full InChI is InChI=1S/C9H13NO2/c1-6(10)9(12)7-2-4-8(11)5-3-7/h2-6,9,11-12H,10H2,1H3/t6-,9-/m1/s1.
What are the key properties of 4-[(1S,2R)-2-amino-1-hydroxypropyl]phenol?
4-[(1S,2R)-2-amino-1-hydroxypropyl]phenol has a molecular weight of 167.21 g/mol, XLogP of 0.77, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,2R)-2-amino-1-hydroxypropyl]phenol is sourced from PubChem (CID 6931150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).