3-[2-[2-(iodoamino)ethyl]phenyl]phenol

C14H14INO — CID 143092524

IUPAC3-[2-[2-(iodoamino)ethyl]phenyl]phenol
SMILESOc1cccc(-c2ccccc2CCNI)c1
InChIInChI=1S/C14H14INO/c15-16-9-8-11-4-1-2-7-14(11)12-5-3-6-13(17)10-12/h1-7,10,16-17H,8-9H2
InChIKeySOBOTOVXDLQFKC-UHFFFAOYSA-N
MW339.18 g/mol
LogP3.54
Rot. Bonds4

About 3-[2-[2-(iodoamino)ethyl]phenyl]phenol

3-[2-[2-(iodoamino)ethyl]phenyl]phenol (PubChem CID 143092524) has the molecular formula C14H14INO and a molecular weight of 339.18 g/mol. Its IUPAC name is 3-[2-[2-(iodoamino)ethyl]phenyl]phenol.

Molecular Properties

Compound Name3-[2-[2-(iodoamino)ethyl]phenyl]phenol
PubChem CID143092524
Molecular FormulaC14H14INO
Molecular Weight339.18 g/mol
Exact Mass339.01
IUPAC Name3-[2-[2-(iodoamino)ethyl]phenyl]phenol
SMILESOc1cccc(-c2ccccc2CCNI)c1
InChIInChI=1S/C14H14INO/c15-16-9-8-11-4-1-2-7-14(11)12-5-3-6-13(17)10-12/h1-7,10,16-17H,8-9H2
InChIKeySOBOTOVXDLQFKC-UHFFFAOYSA-N
XLogP3.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.18
LogP ≤ 53.54
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(iodoamino)ethyl]phenyl]phenol?
The IUPAC name of 3-[2-[2-(iodoamino)ethyl]phenyl]phenol (CID 143092524) is 3-[2-[2-(iodoamino)ethyl]phenyl]phenol.
What is the SMILES notation for 3-[2-[2-(iodoamino)ethyl]phenyl]phenol?
The canonical SMILES for 3-[2-[2-(iodoamino)ethyl]phenyl]phenol is Oc1cccc(-c2ccccc2CCNI)c1.
What is the InChIKey of 3-[2-[2-(iodoamino)ethyl]phenyl]phenol?
The InChIKey is SOBOTOVXDLQFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14INO/c15-16-9-8-11-4-1-2-7-14(11)12-5-3-6-13(17)10-12/h1-7,10,16-17H,8-9H2.
What are the key properties of 3-[2-[2-(iodoamino)ethyl]phenyl]phenol?
3-[2-[2-(iodoamino)ethyl]phenyl]phenol has a molecular weight of 339.18 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(iodoamino)ethyl]phenyl]phenol is sourced from PubChem (CID 143092524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).