4-[2-[chloro(iodo)amino]ethyl]phenol

C8H9ClINO — CID 87581078

IUPAC4-[2-[chloro(iodo)amino]ethyl]phenol
SMILESOc1ccc(CCN(Cl)I)cc1
InChIInChI=1S/C8H9ClINO/c9-11(10)6-5-7-1-3-8(12)4-2-7/h1-4,12H,5-6H2
InChIKeyLJCFVLASZBYAMS-UHFFFAOYSA-N
MW297.52 g/mol
LogP2.74
Rot. Bonds3

About 4-[2-[chloro(iodo)amino]ethyl]phenol

4-[2-[chloro(iodo)amino]ethyl]phenol (PubChem CID 87581078) has the molecular formula C8H9ClINO and a molecular weight of 297.52 g/mol. Its IUPAC name is 4-[2-[chloro(iodo)amino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[chloro(iodo)amino]ethyl]phenol
PubChem CID87581078
Molecular FormulaC8H9ClINO
Molecular Weight297.52 g/mol
Exact Mass296.94
IUPAC Name4-[2-[chloro(iodo)amino]ethyl]phenol
SMILESOc1ccc(CCN(Cl)I)cc1
InChIInChI=1S/C8H9ClINO/c9-11(10)6-5-7-1-3-8(12)4-2-7/h1-4,12H,5-6H2
InChIKeyLJCFVLASZBYAMS-UHFFFAOYSA-N
XLogP2.74
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.52
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[bis(trideuteriomethyl)amino]ethyl]phenol;hydrochloride
CID 131708485
4-[2-[4-[4-[2-(4-hydroxyphenyl)ethyl]phenyl]phenyl]ethyl]phenol
CID 171715473
4-[11-(4-hydroxyphenyl)undecyl]phenol
CID 23191182
4-[2-[methoxymethyl(methyl)amino]ethyl]phenol
CID 91622025
2-(4-hydroxyphenyl)ethylazanium
CID 5249538
4-(iodomethyl)phenol
CID 11241787
4-(6-iodohexyl)phenol
CID 23455799
(3R,5R)-1,7-bis(4-hydroxyphenyl)heptane-3,5-diol
CID 11034432
benzyl-[2-(4-hydroxyphenyl)ethyl]carbamic acid
CID 142890889
4-[(4-hydroxyphenyl)methyl]phenol
CID 12111
4-[2-[benzyl(ethyl)amino]ethyl]phenol
CID 82187934
2-(4-hydroxyphenyl)ethanesulfonyl iodide
CID 155006833

Frequently Asked Questions

What is the IUPAC name of 4-[2-[chloro(iodo)amino]ethyl]phenol?
The IUPAC name of 4-[2-[chloro(iodo)amino]ethyl]phenol (CID 87581078) is 4-[2-[chloro(iodo)amino]ethyl]phenol.
What is the SMILES notation for 4-[2-[chloro(iodo)amino]ethyl]phenol?
The canonical SMILES for 4-[2-[chloro(iodo)amino]ethyl]phenol is Oc1ccc(CCN(Cl)I)cc1.
What is the InChIKey of 4-[2-[chloro(iodo)amino]ethyl]phenol?
The InChIKey is LJCFVLASZBYAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClINO/c9-11(10)6-5-7-1-3-8(12)4-2-7/h1-4,12H,5-6H2.
What are the key properties of 4-[2-[chloro(iodo)amino]ethyl]phenol?
4-[2-[chloro(iodo)amino]ethyl]phenol has a molecular weight of 297.52 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[chloro(iodo)amino]ethyl]phenol is sourced from PubChem (CID 87581078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).