4-[2,6-diiodo-4-(2-methylpropyl)phenoxy]phenol

C16H16I2O2 — CID 23386461

IUPAC4-[2,6-diiodo-4-(2-methylpropyl)phenoxy]phenol
SMILESCC(C)Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1
InChIInChI=1S/C16H16I2O2/c1-10(2)7-11-8-14(17)16(15(18)9-11)20-13-5-3-12(19)4-6-13/h3-6,8-10,19H,7H2,1-2H3
InChIKeyAUEYERSSENIWDV-UHFFFAOYSA-N
MW494.11 g/mol
LogP5.59
Rot. Bonds4

About 4-[2,6-diiodo-4-(2-methylpropyl)phenoxy]phenol

4-[2,6-diiodo-4-(2-methylpropyl)phenoxy]phenol (PubChem CID 23386461) has the molecular formula C16H16I2O2 and a molecular weight of 494.11 g/mol. Its IUPAC name is 4-[2,6-diiodo-4-(2-methylpropyl)phenoxy]phenol.

Molecular Properties

Compound Name4-[2,6-diiodo-4-(2-methylpropyl)phenoxy]phenol
PubChem CID23386461
Molecular FormulaC16H16I2O2
Molecular Weight494.11 g/mol
Exact Mass493.92
IUPAC Name4-[2,6-diiodo-4-(2-methylpropyl)phenoxy]phenol
SMILESCC(C)Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1
InChIInChI=1S/C16H16I2O2/c1-10(2)7-11-8-14(17)16(15(18)9-11)20-13-5-3-12(19)4-6-13/h3-6,8-10,19H,7H2,1-2H3
InChIKeyAUEYERSSENIWDV-UHFFFAOYSA-N
XLogP5.59
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.11
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[2,6-diiodo-4-(2-methylpropyl)phenoxy]phenol?
The IUPAC name of 4-[2,6-diiodo-4-(2-methylpropyl)phenoxy]phenol (CID 23386461) is 4-[2,6-diiodo-4-(2-methylpropyl)phenoxy]phenol.
What is the SMILES notation for 4-[2,6-diiodo-4-(2-methylpropyl)phenoxy]phenol?
The canonical SMILES for 4-[2,6-diiodo-4-(2-methylpropyl)phenoxy]phenol is CC(C)Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1.
What is the InChIKey of 4-[2,6-diiodo-4-(2-methylpropyl)phenoxy]phenol?
The InChIKey is AUEYERSSENIWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16I2O2/c1-10(2)7-11-8-14(17)16(15(18)9-11)20-13-5-3-12(19)4-6-13/h3-6,8-10,19H,7H2,1-2H3.
What are the key properties of 4-[2,6-diiodo-4-(2-methylpropyl)phenoxy]phenol?
4-[2,6-diiodo-4-(2-methylpropyl)phenoxy]phenol has a molecular weight of 494.11 g/mol, XLogP of 5.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,6-diiodo-4-(2-methylpropyl)phenoxy]phenol is sourced from PubChem (CID 23386461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).