2-[4-(4-amino-2-iodophenoxy)phenyl]ethanol

C14H14INO2 — CID 107708403

IUPAC2-[4-(4-amino-2-iodophenoxy)phenyl]ethanol
SMILESNc1ccc(Oc2ccc(CCO)cc2)c(I)c1
InChIInChI=1S/C14H14INO2/c15-13-9-11(16)3-6-14(13)18-12-4-1-10(2-5-12)7-8-17/h1-6,9,17H,7-8,16H2
InChIKeyYTHKFFPRNZLNTE-UHFFFAOYSA-N
MW355.18 g/mol
LogP3.20
Rot. Bonds4

About 2-[4-(4-amino-2-iodophenoxy)phenyl]ethanol

2-[4-(4-amino-2-iodophenoxy)phenyl]ethanol (PubChem CID 107708403) has the molecular formula C14H14INO2 and a molecular weight of 355.18 g/mol. Its IUPAC name is 2-[4-(4-amino-2-iodophenoxy)phenyl]ethanol.

Molecular Properties

Compound Name2-[4-(4-amino-2-iodophenoxy)phenyl]ethanol
PubChem CID107708403
Molecular FormulaC14H14INO2
Molecular Weight355.18 g/mol
Exact Mass355.01
IUPAC Name2-[4-(4-amino-2-iodophenoxy)phenyl]ethanol
SMILESNc1ccc(Oc2ccc(CCO)cc2)c(I)c1
InChIInChI=1S/C14H14INO2/c15-13-9-11(16)3-6-14(13)18-12-4-1-10(2-5-12)7-8-17/h1-6,9,17H,7-8,16H2
InChIKeyYTHKFFPRNZLNTE-UHFFFAOYSA-N
XLogP3.20
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.18
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[4-(4-amino-2-iodophenoxy)phenyl]ethanol with MolForge

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

Launch Full Analysis

Related Compounds

4-(4-fluorophenoxy)-3-iodoaniline
CID 66092753
2-[2-(4-amino-2-iodophenoxy)phenyl]ethanol
CID 107712058
2-[4-(2-amino-4-methoxyphenoxy)phenyl]ethanol
CID 107708398
3-iodo-4-(4-methylsulfonylphenoxy)aniline
CID 66095645
[4-(4-amino-2-chlorophenoxy)phenyl]methanol
CID 61229518
4-(6-bromonaphthalen-2-yl)oxy-3-iodoaniline
CID 66093379
2-[4-[2-(aminomethyl)-4-bromophenoxy]phenyl]ethanol
CID 107708359
3-fluoro-4-[4-(2-hydroxyethyl)phenoxy]benzamide
CID 107709668
2-[4-[4-(1-aminoethyl)-2-bromophenoxy]phenyl]ethanol
CID 107709115
3-chloro-N'-hydroxy-4-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
CID 107708937
2-[4-[2-(aminomethyl)-5-chlorophenoxy]phenyl]ethanol
CID 107708372
4-[4-[2-[4-(4-aminophenoxy)-3-chlorophenyl]ethyl]-2-chlorophenoxy]aniline
CID 57316904

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-amino-2-iodophenoxy)phenyl]ethanol?
The IUPAC name of 2-[4-(4-amino-2-iodophenoxy)phenyl]ethanol (CID 107708403) is 2-[4-(4-amino-2-iodophenoxy)phenyl]ethanol.
What is the SMILES notation for 2-[4-(4-amino-2-iodophenoxy)phenyl]ethanol?
The canonical SMILES for 2-[4-(4-amino-2-iodophenoxy)phenyl]ethanol is Nc1ccc(Oc2ccc(CCO)cc2)c(I)c1.
What is the InChIKey of 2-[4-(4-amino-2-iodophenoxy)phenyl]ethanol?
The InChIKey is YTHKFFPRNZLNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14INO2/c15-13-9-11(16)3-6-14(13)18-12-4-1-10(2-5-12)7-8-17/h1-6,9,17H,7-8,16H2.
What are the key properties of 2-[4-(4-amino-2-iodophenoxy)phenyl]ethanol?
2-[4-(4-amino-2-iodophenoxy)phenyl]ethanol has a molecular weight of 355.18 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-amino-2-iodophenoxy)phenyl]ethanol is sourced from PubChem (CID 107708403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).