4-[(3R)-3-aminobutyl]-2-iodophenol

C10H14INO — CID 131145873

IUPAC4-[(3R)-3-aminobutyl]-2-iodophenol
SMILESC[C@@H](N)CCc1ccc(O)c(I)c1
InChIInChI=1S/C10H14INO/c1-7(12)2-3-8-4-5-10(13)9(11)6-8/h4-7,13H,2-3,12H2,1H3/t7-/m1/s1
InChIKeyIJUXIZDTHBHGTJ-SSDOTTSWSA-N
MW291.13 g/mol
LogP2.28
Rot. Bonds3

About 4-[(3R)-3-aminobutyl]-2-iodophenol

4-[(3R)-3-aminobutyl]-2-iodophenol (PubChem CID 131145873) has the molecular formula C10H14INO and a molecular weight of 291.13 g/mol. Its IUPAC name is 4-[(3R)-3-aminobutyl]-2-iodophenol.

Molecular Properties

Compound Name4-[(3R)-3-aminobutyl]-2-iodophenol
PubChem CID131145873
Molecular FormulaC10H14INO
Molecular Weight291.13 g/mol
Exact Mass291.01
IUPAC Name4-[(3R)-3-aminobutyl]-2-iodophenol
SMILESC[C@@H](N)CCc1ccc(O)c(I)c1
InChIInChI=1S/C10H14INO/c1-7(12)2-3-8-4-5-10(13)9(11)6-8/h4-7,13H,2-3,12H2,1H3/t7-/m1/s1
InChIKeyIJUXIZDTHBHGTJ-SSDOTTSWSA-N
XLogP2.28
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.13
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 4-[(3R)-3-aminobutyl]-2-iodophenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-aminobutyl]-2-iodophenol?
The IUPAC name of 4-[(3R)-3-aminobutyl]-2-iodophenol (CID 131145873) is 4-[(3R)-3-aminobutyl]-2-iodophenol.
What is the SMILES notation for 4-[(3R)-3-aminobutyl]-2-iodophenol?
The canonical SMILES for 4-[(3R)-3-aminobutyl]-2-iodophenol is C[C@@H](N)CCc1ccc(O)c(I)c1.
What is the InChIKey of 4-[(3R)-3-aminobutyl]-2-iodophenol?
The InChIKey is IJUXIZDTHBHGTJ-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H14INO/c1-7(12)2-3-8-4-5-10(13)9(11)6-8/h4-7,13H,2-3,12H2,1H3/t7-/m1/s1.
What are the key properties of 4-[(3R)-3-aminobutyl]-2-iodophenol?
4-[(3R)-3-aminobutyl]-2-iodophenol has a molecular weight of 291.13 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-aminobutyl]-2-iodophenol is sourced from PubChem (CID 131145873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).