4-[2-iodo-4-[2-(methylamino)ethyl]phenoxy]phenol

C15H16INO2 — CID 11523547

IUPAC4-[2-iodo-4-[2-(methylamino)ethyl]phenoxy]phenol
SMILESCNCCc1ccc(Oc2ccc(O)cc2)c(I)c1
InChIInChI=1S/C15H16INO2/c1-17-9-8-11-2-7-15(14(16)10-11)19-13-5-3-12(18)4-6-13/h2-7,10,17-18H,8-9H2,1H3
InChIKeySXXZXNBIOFFYGG-UHFFFAOYSA-N
MW369.20 g/mol
LogP3.55
Rot. Bonds5

About 4-[2-iodo-4-[2-(methylamino)ethyl]phenoxy]phenol

4-[2-iodo-4-[2-(methylamino)ethyl]phenoxy]phenol (PubChem CID 11523547) has the molecular formula C15H16INO2 and a molecular weight of 369.20 g/mol. Its IUPAC name is 4-[2-iodo-4-[2-(methylamino)ethyl]phenoxy]phenol.

Molecular Properties

Compound Name4-[2-iodo-4-[2-(methylamino)ethyl]phenoxy]phenol
PubChem CID11523547
Molecular FormulaC15H16INO2
Molecular Weight369.20 g/mol
Exact Mass369.02
IUPAC Name4-[2-iodo-4-[2-(methylamino)ethyl]phenoxy]phenol
SMILESCNCCc1ccc(Oc2ccc(O)cc2)c(I)c1
InChIInChI=1S/C15H16INO2/c1-17-9-8-11-2-7-15(14(16)10-11)19-13-5-3-12(18)4-6-13/h2-7,10,17-18H,8-9H2,1H3
InChIKeySXXZXNBIOFFYGG-UHFFFAOYSA-N
XLogP3.55
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.20
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-iodo-4-[2-(methylamino)ethyl]phenoxy]phenol?
The IUPAC name of 4-[2-iodo-4-[2-(methylamino)ethyl]phenoxy]phenol (CID 11523547) is 4-[2-iodo-4-[2-(methylamino)ethyl]phenoxy]phenol.
What is the SMILES notation for 4-[2-iodo-4-[2-(methylamino)ethyl]phenoxy]phenol?
The canonical SMILES for 4-[2-iodo-4-[2-(methylamino)ethyl]phenoxy]phenol is CNCCc1ccc(Oc2ccc(O)cc2)c(I)c1.
What is the InChIKey of 4-[2-iodo-4-[2-(methylamino)ethyl]phenoxy]phenol?
The InChIKey is SXXZXNBIOFFYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16INO2/c1-17-9-8-11-2-7-15(14(16)10-11)19-13-5-3-12(18)4-6-13/h2-7,10,17-18H,8-9H2,1H3.
What are the key properties of 4-[2-iodo-4-[2-(methylamino)ethyl]phenoxy]phenol?
4-[2-iodo-4-[2-(methylamino)ethyl]phenoxy]phenol has a molecular weight of 369.20 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-iodo-4-[2-(methylamino)ethyl]phenoxy]phenol is sourced from PubChem (CID 11523547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).