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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Related Compounds

4-[4-(2-amino-2-hydroxyethyl)-2,6-diiodophenoxy]phenol
CID 69049001
4-[4-[(2S)-2-amino-3-hydroxypropyl]-2,6-diiodophenoxy]phenol;hydrochloride
CID 91885407
(2S)-2-amino-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propanal
CID 121230878
iodo (2S)-2-amino-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propanoate
CID 70463940
sodium (2S)-2-amino-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propanoate
CID 69045050
4-[2,6-diiodo-4-(2-methylpropyl)phenoxy]benzoate;formaldehyde;(2S)-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]-2-(3-methylbutylamino)propanoate
CID 158248705
4-[2,6-diiodo-4-[2-(propan-2-ylamino)propyl]phenoxy]-2,6-diiodophenol;4-[2,6-diiodo-4-[2-(propan-2-ylamino)propyl]phenoxy]-2-iodophenol
CID 159882820
4-[4-(3-methylbutyl)phenoxy]phenol
CID 10199007
1,3,5-trifluoro-2-[4-(2-methylpropyl)phenoxy]benzene
CID 178142552
(2S)-2-amino-2-[[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]methyl]pentanoic acid
CID 54088253
4-(2-aminoethyl)phenol;(2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid
CID 157121192
1,3-diiodo-5-(methoxymethyl)-2-(4-methoxyphenoxy)benzene;[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]methanol
CID 158421267

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).