2-(2-hydroxy-5-iodo-3-methoxyphenyl)-4-iodo-6-methoxyphenol

C14H12I2O4 — CID 135271643

IUPAC2-(2-hydroxy-5-iodo-3-methoxyphenyl)-4-iodo-6-methoxyphenol
SMILESCOc1cc(I)cc(-c2cc(I)cc(OC)c2O)c1O
InChIInChI=1S/C14H12I2O4/c1-19-11-5-7(15)3-9(13(11)17)10-4-8(16)6-12(20-2)14(10)18/h3-6,17-18H,1-2H3
InChIKeyVHJJQYKTEABOKY-UHFFFAOYSA-N
MW498.05 g/mol
LogP3.99
Rot. Bonds3

About 2-(2-hydroxy-5-iodo-3-methoxyphenyl)-4-iodo-6-methoxyphenol

2-(2-hydroxy-5-iodo-3-methoxyphenyl)-4-iodo-6-methoxyphenol (PubChem CID 135271643) has the molecular formula C14H12I2O4 and a molecular weight of 498.05 g/mol. Its IUPAC name is 2-(2-hydroxy-5-iodo-3-methoxyphenyl)-4-iodo-6-methoxyphenol.

Molecular Properties

Compound Name2-(2-hydroxy-5-iodo-3-methoxyphenyl)-4-iodo-6-methoxyphenol
PubChem CID135271643
Molecular FormulaC14H12I2O4
Molecular Weight498.05 g/mol
Exact Mass497.88
IUPAC Name2-(2-hydroxy-5-iodo-3-methoxyphenyl)-4-iodo-6-methoxyphenol
SMILESCOc1cc(I)cc(-c2cc(I)cc(OC)c2O)c1O
InChIInChI=1S/C14H12I2O4/c1-19-11-5-7(15)3-9(13(11)17)10-4-8(16)6-12(20-2)14(10)18/h3-6,17-18H,1-2H3
InChIKeyVHJJQYKTEABOKY-UHFFFAOYSA-N
XLogP3.99
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.05
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,6-diiodo-3,5-dimethoxyphenol
CID 10501483
2-[(1S)-1-amino-2,2,2-trifluoroethyl]-4-iodo-6-methoxyphenol
CID 66510452
(E)-3-(2-hydroxy-5-iodo-3-methoxyphenyl)prop-2-enoic acid
CID 91755695
1-(2,3-dimethoxy-5-methylphenyl)-5-iodo-2,3-dimethoxybenzene
CID 130424971
4-iodo-1-(4-iodo-2-methoxyphenyl)-2-methoxybenzene
CID 86019037
2-ethyl-5-iodo-1,3-dimethoxybenzene
CID 118819025
2-fluoro-1,5-diiodo-3-methoxybenzene
CID 130984918
2,4-diiodo-6-methoxyaniline
CID 118990977
2-[2-hydroxy-5-(hydroxymethyl)-3-sulfanyloxyphenyl]-4-(hydroxymethyl)-6-methoxyphenol
CID 139407134
(E)-3-[4-hydroxy-3-[2-hydroxy-3-methoxy-5-[(E)-3-oxoprop-1-enyl]phenyl]-5-methoxyphenyl]prop-2-enal
CID 14302930
2-[(4-fluoroanilino)methyl]-4-iodo-6-methoxyphenol
CID 4279006
2,5-diiodo-1-methoxy-3-prop-1-en-2-ylbenzene
CID 166018938

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-5-iodo-3-methoxyphenyl)-4-iodo-6-methoxyphenol?
The IUPAC name of 2-(2-hydroxy-5-iodo-3-methoxyphenyl)-4-iodo-6-methoxyphenol (CID 135271643) is 2-(2-hydroxy-5-iodo-3-methoxyphenyl)-4-iodo-6-methoxyphenol.
What is the SMILES notation for 2-(2-hydroxy-5-iodo-3-methoxyphenyl)-4-iodo-6-methoxyphenol?
The canonical SMILES for 2-(2-hydroxy-5-iodo-3-methoxyphenyl)-4-iodo-6-methoxyphenol is COc1cc(I)cc(-c2cc(I)cc(OC)c2O)c1O.
What is the InChIKey of 2-(2-hydroxy-5-iodo-3-methoxyphenyl)-4-iodo-6-methoxyphenol?
The InChIKey is VHJJQYKTEABOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12I2O4/c1-19-11-5-7(15)3-9(13(11)17)10-4-8(16)6-12(20-2)14(10)18/h3-6,17-18H,1-2H3.
What are the key properties of 2-(2-hydroxy-5-iodo-3-methoxyphenyl)-4-iodo-6-methoxyphenol?
2-(2-hydroxy-5-iodo-3-methoxyphenyl)-4-iodo-6-methoxyphenol has a molecular weight of 498.05 g/mol, XLogP of 3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-5-iodo-3-methoxyphenyl)-4-iodo-6-methoxyphenol is sourced from PubChem (CID 135271643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).