4-[(4-hydroxy-3,5-diiodophenyl)-diphenylmethyl]-2,6-diiodophenol

C25H16I4O2 — CID 134267119

IUPAC4-[(4-hydroxy-3,5-diiodophenyl)-diphenylmethyl]-2,6-diiodophenol
SMILESOc1c(I)cc(C(c2ccccc2)(c2ccccc2)c2cc(I)c(O)c(I)c2)cc1I
InChIInChI=1S/C25H16I4O2/c26-19-11-17(12-20(27)23(19)30)25(15-7-3-1-4-8-15,16-9-5-2-6-10-16)18-13-21(28)24(31)22(29)14-18/h1-14,30-31H
InChIKeyWHELUMIEBUVWDJ-UHFFFAOYSA-N
MW856.02 g/mol
LogP7.90
Rot. Bonds4

About 4-[(4-hydroxy-3,5-diiodophenyl)-diphenylmethyl]-2,6-diiodophenol

4-[(4-hydroxy-3,5-diiodophenyl)-diphenylmethyl]-2,6-diiodophenol (PubChem CID 134267119) has the molecular formula C25H16I4O2 and a molecular weight of 856.02 g/mol. Its IUPAC name is 4-[(4-hydroxy-3,5-diiodophenyl)-diphenylmethyl]-2,6-diiodophenol.

Molecular Properties

Compound Name4-[(4-hydroxy-3,5-diiodophenyl)-diphenylmethyl]-2,6-diiodophenol
PubChem CID134267119
Molecular FormulaC25H16I4O2
Molecular Weight856.02 g/mol
Exact Mass855.73
IUPAC Name4-[(4-hydroxy-3,5-diiodophenyl)-diphenylmethyl]-2,6-diiodophenol
SMILESOc1c(I)cc(C(c2ccccc2)(c2ccccc2)c2cc(I)c(O)c(I)c2)cc1I
InChIInChI=1S/C25H16I4O2/c26-19-11-17(12-20(27)23(19)30)25(15-7-3-1-4-8-15,16-9-5-2-6-10-16)18-13-21(28)24(31)22(29)14-18/h1-14,30-31H
InChIKeyWHELUMIEBUVWDJ-UHFFFAOYSA-N
XLogP7.90
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500856.02
LogP ≤ 57.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(1,2,3,4,5,6-13C6)cyclohexatrienyl-(4-hydroxyphenyl)-phenylmethyl]phenol
CID 171380903
4-[(3,4-dihydroxyphenyl)-diphenylmethyl]benzene-1,2-diol
CID 59253853
4-[(4-amino-3,5-dimethylphenyl)-diphenylmethyl]-2,6-dimethylaniline
CID 146638206
1-methyl-4-[(4-methylphenyl)-diphenylmethyl]benzene
CID 22957062
4-[(4-hydroxy-2,6-dimethylphenyl)-diphenylmethyl]-3,5-dimethylphenol
CID 139721839
3-tritylbenzene-1,2-diol
CID 68658229
4-hydroxy-3,5-diiodobenzoic acid
CID 12065
5-[[4-methyl-3,5-bis(sulfanyl)phenyl]-diphenylmethyl]benzene-1,2,3-trithiol
CID 144907747
CID 171375456
CID 171375456
(E)-3-(4-hydroxy-3,5-diiodophenyl)-2-phenylprop-2-enoic acid
CID 23619429
CID 175980360
CID 175980360
4-tert-butyl-2-[(E)-hydroxyiminomethyl]-6-iodophenol
CID 137126547

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxy-3,5-diiodophenyl)-diphenylmethyl]-2,6-diiodophenol?
The IUPAC name of 4-[(4-hydroxy-3,5-diiodophenyl)-diphenylmethyl]-2,6-diiodophenol (CID 134267119) is 4-[(4-hydroxy-3,5-diiodophenyl)-diphenylmethyl]-2,6-diiodophenol.
What is the SMILES notation for 4-[(4-hydroxy-3,5-diiodophenyl)-diphenylmethyl]-2,6-diiodophenol?
The canonical SMILES for 4-[(4-hydroxy-3,5-diiodophenyl)-diphenylmethyl]-2,6-diiodophenol is Oc1c(I)cc(C(c2ccccc2)(c2ccccc2)c2cc(I)c(O)c(I)c2)cc1I.
What is the InChIKey of 4-[(4-hydroxy-3,5-diiodophenyl)-diphenylmethyl]-2,6-diiodophenol?
The InChIKey is WHELUMIEBUVWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16I4O2/c26-19-11-17(12-20(27)23(19)30)25(15-7-3-1-4-8-15,16-9-5-2-6-10-16)18-13-21(28)24(31)22(29)14-18/h1-14,30-31H.
What are the key properties of 4-[(4-hydroxy-3,5-diiodophenyl)-diphenylmethyl]-2,6-diiodophenol?
4-[(4-hydroxy-3,5-diiodophenyl)-diphenylmethyl]-2,6-diiodophenol has a molecular weight of 856.02 g/mol, XLogP of 7.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxy-3,5-diiodophenyl)-diphenylmethyl]-2,6-diiodophenol is sourced from PubChem (CID 134267119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).