4-(2-amino-1-hydroxypropyl)phenol

C9H13NO2 — CID 11099

IUPAC4-(2-amino-1-hydroxypropyl)phenol
SMILESCC(N)C(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
InChIKeyJAYBQRKXEFDRER-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.77
Rot. Bonds2

About 4-(2-amino-1-hydroxypropyl)phenol

4-(2-amino-1-hydroxypropyl)phenol (PubChem CID 11099) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 4-(2-amino-1-hydroxypropyl)phenol.

Molecular Properties

Compound Name4-(2-amino-1-hydroxypropyl)phenol
PubChem CID11099
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name4-(2-amino-1-hydroxypropyl)phenol
SMILESCC(N)C(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
InChIKeyJAYBQRKXEFDRER-UHFFFAOYSA-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-(2-amino-1-hydroxypropyl)phenol?
The IUPAC name of 4-(2-amino-1-hydroxypropyl)phenol (CID 11099) is 4-(2-amino-1-hydroxypropyl)phenol.
What is the SMILES notation for 4-(2-amino-1-hydroxypropyl)phenol?
The canonical SMILES for 4-(2-amino-1-hydroxypropyl)phenol is CC(N)C(O)c1ccc(O)cc1.
What is the InChIKey of 4-(2-amino-1-hydroxypropyl)phenol?
The InChIKey is JAYBQRKXEFDRER-UHFFFAOYSA-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.
What are the key properties of 4-(2-amino-1-hydroxypropyl)phenol?
4-(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-(2-amino-1-hydroxypropyl)phenol is sourced from PubChem (CID 11099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).