4-[2-(4-hydroxyphenyl)-2,2-diiodoethyl]phenol

C14H12I2O2 — CID 70440084

IUPAC4-[2-(4-hydroxyphenyl)-2,2-diiodoethyl]phenol
SMILESOc1ccc(CC(I)(I)c2ccc(O)cc2)cc1
InChIInChI=1S/C14H12I2O2/c15-14(16,11-3-7-13(18)8-4-11)9-10-1-5-12(17)6-2-10/h1-8,17-18H,9H2
InChIKeyRJEWLIYBYQHASI-UHFFFAOYSA-N
MW466.06 g/mol
LogP4.36
Rot. Bonds3

About 4-[2-(4-hydroxyphenyl)-2,2-diiodoethyl]phenol

4-[2-(4-hydroxyphenyl)-2,2-diiodoethyl]phenol (PubChem CID 70440084) has the molecular formula C14H12I2O2 and a molecular weight of 466.06 g/mol. Its IUPAC name is 4-[2-(4-hydroxyphenyl)-2,2-diiodoethyl]phenol.

Molecular Properties

Compound Name4-[2-(4-hydroxyphenyl)-2,2-diiodoethyl]phenol
PubChem CID70440084
Molecular FormulaC14H12I2O2
Molecular Weight466.06 g/mol
Exact Mass465.89
IUPAC Name4-[2-(4-hydroxyphenyl)-2,2-diiodoethyl]phenol
SMILESOc1ccc(CC(I)(I)c2ccc(O)cc2)cc1
InChIInChI=1S/C14H12I2O2/c15-14(16,11-3-7-13(18)8-4-11)9-10-1-5-12(17)6-2-10/h1-8,17-18H,9H2
InChIKeyRJEWLIYBYQHASI-UHFFFAOYSA-N
XLogP4.36
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.06
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(4-ethylphenyl)-2-methylpropyl]phenol
CID 67225480
1-(4-hydroxyphenyl)propane-2,2-diol
CID 71429856
4-[2-[4-(aminomethyl)phenyl]-2-methylpropyl]phenol
CID 174702747
4-[2-[4-[2-(4-hydroxyphenyl)-1-phenylpropan-2-yl]phenyl]-1-phenylpropan-2-yl]phenol
CID 67400035
4-(iodomethyl)phenol
CID 11241787
4-[(4-hydroxyphenyl)methyl]phenol
CID 12111
dichloromethane;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
CID 158726740
[1,1-dihydroxy-3-(4-hydroxyphenyl)-2-methylpropan-2-yl]-trimethylazanium
CID 58732123
4-[(4-tert-butylphenyl)methyl]phenol;2-methylpropane
CID 143086936
(4-hydroxyphenyl)methanetriol
CID 57197766
3-[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]phenol
CID 145284163
4-[2-(4-heptylphenyl)-2-methylpropyl]phenol
CID 67225424

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-hydroxyphenyl)-2,2-diiodoethyl]phenol?
The IUPAC name of 4-[2-(4-hydroxyphenyl)-2,2-diiodoethyl]phenol (CID 70440084) is 4-[2-(4-hydroxyphenyl)-2,2-diiodoethyl]phenol.
What is the SMILES notation for 4-[2-(4-hydroxyphenyl)-2,2-diiodoethyl]phenol?
The canonical SMILES for 4-[2-(4-hydroxyphenyl)-2,2-diiodoethyl]phenol is Oc1ccc(CC(I)(I)c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[2-(4-hydroxyphenyl)-2,2-diiodoethyl]phenol?
The InChIKey is RJEWLIYBYQHASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12I2O2/c15-14(16,11-3-7-13(18)8-4-11)9-10-1-5-12(17)6-2-10/h1-8,17-18H,9H2.
What are the key properties of 4-[2-(4-hydroxyphenyl)-2,2-diiodoethyl]phenol?
4-[2-(4-hydroxyphenyl)-2,2-diiodoethyl]phenol has a molecular weight of 466.06 g/mol, XLogP of 4.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-hydroxyphenyl)-2,2-diiodoethyl]phenol is sourced from PubChem (CID 70440084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).