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

C19H12I4O3 — CID 170357941

IUPAC4-[(4-hydroxy-3,5-diiodophenyl)-(4-hydroxyphenyl)methyl]-2,6-diiodophenol
SMILESOc1ccc(C(c2cc(I)c(O)c(I)c2)c2cc(I)c(O)c(I)c2)cc1
InChIInChI=1S/C19H12I4O3/c20-13-5-10(6-14(21)18(13)25)17(9-1-3-12(24)4-2-9)11-7-15(22)19(26)16(23)8-11/h1-8,17,24-26H
InChIKeyWPLZERSTWYMVKU-UHFFFAOYSA-N
MW795.92 g/mol
LogP6.40
Rot. Bonds3

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

4-[(4-hydroxy-3,5-diiodophenyl)-(4-hydroxyphenyl)methyl]-2,6-diiodophenol (PubChem CID 170357941) has the molecular formula C19H12I4O3 and a molecular weight of 795.92 g/mol. Its IUPAC name is 4-[(4-hydroxy-3,5-diiodophenyl)-(4-hydroxyphenyl)methyl]-2,6-diiodophenol.

Molecular Properties

Compound Name4-[(4-hydroxy-3,5-diiodophenyl)-(4-hydroxyphenyl)methyl]-2,6-diiodophenol
PubChem CID170357941
Molecular FormulaC19H12I4O3
Molecular Weight795.92 g/mol
Exact Mass795.70
IUPAC Name4-[(4-hydroxy-3,5-diiodophenyl)-(4-hydroxyphenyl)methyl]-2,6-diiodophenol
SMILESOc1ccc(C(c2cc(I)c(O)c(I)c2)c2cc(I)c(O)c(I)c2)cc1
InChIInChI=1S/C19H12I4O3/c20-13-5-10(6-14(21)18(13)25)17(9-1-3-12(24)4-2-9)11-7-15(22)19(26)16(23)8-11/h1-8,17,24-26H
InChIKeyWPLZERSTWYMVKU-UHFFFAOYSA-N
XLogP6.40
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.92
LogP ≤ 56.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-[(4-hydroxyphenyl)-(4-propan-2-ylphenyl)methyl]phenol
CID 22648594
4-[[4-[(4-hydroxy-3-methylphenyl)-(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxyphenyl)methyl]-2-methylphenol
CID 68635784
4-[[4-[bis[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]phenyl]-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]-2,6-bis(methoxymethyl)phenol
CID 21344501
4-[(4-hydroxyphenyl)methyl]-2,6-diiodophenol
CID 54004873
4-[1-(4-hydroxyphenyl)ethyl]phenol
CID 608116
4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol;4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol;4-[bis(4-hydroxyphenyl)methyl]phenol
CID 159558914
2,6-diiodo-4-(1-iodopropan-2-yl)phenol
CID 170052674
4-[[4-[bis[4-hydroxy-3,5-bis(methoxymethyl)phenyl]methyl]phenyl]-(3,5-diethyl-4-hydroxyphenyl)methyl]-2,6-diethylphenol
CID 118593439
4-[(R)-amino(thiophen-3-yl)methyl]-2,6-diiodophenol;hydrochloride
CID 171235478
4-[(1S)-1-amino-2,2-dimethylpropyl]-2,6-diiodophenol;hydrochloride
CID 171244914
methane;4-propan-2-ylphenol
CID 159328733
4-[[4-[bis(4-hydroxy-3,5-dimethylphenyl)methyl]phenyl]-(4-hydroxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenol;nitromethane
CID 139145272

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxy-3,5-diiodophenyl)-(4-hydroxyphenyl)methyl]-2,6-diiodophenol?
The IUPAC name of 4-[(4-hydroxy-3,5-diiodophenyl)-(4-hydroxyphenyl)methyl]-2,6-diiodophenol (CID 170357941) is 4-[(4-hydroxy-3,5-diiodophenyl)-(4-hydroxyphenyl)methyl]-2,6-diiodophenol.
What is the SMILES notation for 4-[(4-hydroxy-3,5-diiodophenyl)-(4-hydroxyphenyl)methyl]-2,6-diiodophenol?
The canonical SMILES for 4-[(4-hydroxy-3,5-diiodophenyl)-(4-hydroxyphenyl)methyl]-2,6-diiodophenol is Oc1ccc(C(c2cc(I)c(O)c(I)c2)c2cc(I)c(O)c(I)c2)cc1.
What is the InChIKey of 4-[(4-hydroxy-3,5-diiodophenyl)-(4-hydroxyphenyl)methyl]-2,6-diiodophenol?
The InChIKey is WPLZERSTWYMVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12I4O3/c20-13-5-10(6-14(21)18(13)25)17(9-1-3-12(24)4-2-9)11-7-15(22)19(26)16(23)8-11/h1-8,17,24-26H.
What are the key properties of 4-[(4-hydroxy-3,5-diiodophenyl)-(4-hydroxyphenyl)methyl]-2,6-diiodophenol?
4-[(4-hydroxy-3,5-diiodophenyl)-(4-hydroxyphenyl)methyl]-2,6-diiodophenol has a molecular weight of 795.92 g/mol, XLogP of 6.40, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxy-3,5-diiodophenyl)-(4-hydroxyphenyl)methyl]-2,6-diiodophenol is sourced from PubChem (CID 170357941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).