[2-bromo-5-(4-bromo-2-iodo-5-methoxyphenyl)-4-iodophenyl]methanol

C14H10Br2I2O2 — CID 118148163

IUPAC[2-bromo-5-(4-bromo-2-iodo-5-methoxyphenyl)-4-iodophenyl]methanol
SMILESCOc1cc(-c2cc(CO)c(Br)cc2I)c(I)cc1Br
InChIInChI=1S/C14H10Br2I2O2/c1-20-14-3-9(13(18)5-11(14)16)8-2-7(6-19)10(15)4-12(8)17/h2-5,19H,6H2,1H3
InChIKeyZIBVIVUGZVLFOV-UHFFFAOYSA-N
MW623.85 g/mol
LogP5.59
Rot. Bonds3

About [2-bromo-5-(4-bromo-2-iodo-5-methoxyphenyl)-4-iodophenyl]methanol

[2-bromo-5-(4-bromo-2-iodo-5-methoxyphenyl)-4-iodophenyl]methanol (PubChem CID 118148163) has the molecular formula C14H10Br2I2O2 and a molecular weight of 623.85 g/mol. Its IUPAC name is [2-bromo-5-(4-bromo-2-iodo-5-methoxyphenyl)-4-iodophenyl]methanol.

Molecular Properties

Compound Name[2-bromo-5-(4-bromo-2-iodo-5-methoxyphenyl)-4-iodophenyl]methanol
PubChem CID118148163
Molecular FormulaC14H10Br2I2O2
Molecular Weight623.85 g/mol
Exact Mass621.71
IUPAC Name[2-bromo-5-(4-bromo-2-iodo-5-methoxyphenyl)-4-iodophenyl]methanol
SMILESCOc1cc(-c2cc(CO)c(Br)cc2I)c(I)cc1Br
InChIInChI=1S/C14H10Br2I2O2/c1-20-14-3-9(13(18)5-11(14)16)8-2-7(6-19)10(15)4-12(8)17/h2-5,19H,6H2,1H3
InChIKeyZIBVIVUGZVLFOV-UHFFFAOYSA-N
XLogP5.59
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.85
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-bromo-5-(hydroxymethyl)-2-methoxyphenol
CID 637415
(4,5-dibromo-2-methoxyphenyl)methanol
CID 118601977
(2-bromo-5-ethoxy-4-methoxyphenyl)methanol
CID 893488
4-bromo-2-iodo-5-methoxybenzoic acid
CID 131589494
1-bromo-4-(iodomethyl)-2,5-dimethoxybenzene
CID 64787018
5-(hydroxymethyl)-4-iodo-2-methoxybenzonitrile
CID 131285021
4-(4-amino-2-iodo-5-methoxyphenyl)-5-iodo-2-methoxyaniline
CID 141296455
(5-bromo-7-methoxy-1H-indol-3-yl)methanol
CID 130049828
[4-(2,5-dibromo-4-methoxyphenoxy)phenyl]methanol
CID 79403220
(5-bromo-2-methoxy-4-propan-2-ylphenyl)methanol
CID 84709781
1-bromo-5-ethyl-2,4-dimethoxybenzene
CID 58764118
(5-bromo-4-iodo-2-methoxyphenyl)methanamine
CID 171018559

Frequently Asked Questions

What is the IUPAC name of [2-bromo-5-(4-bromo-2-iodo-5-methoxyphenyl)-4-iodophenyl]methanol?
The IUPAC name of [2-bromo-5-(4-bromo-2-iodo-5-methoxyphenyl)-4-iodophenyl]methanol (CID 118148163) is [2-bromo-5-(4-bromo-2-iodo-5-methoxyphenyl)-4-iodophenyl]methanol.
What is the SMILES notation for [2-bromo-5-(4-bromo-2-iodo-5-methoxyphenyl)-4-iodophenyl]methanol?
The canonical SMILES for [2-bromo-5-(4-bromo-2-iodo-5-methoxyphenyl)-4-iodophenyl]methanol is COc1cc(-c2cc(CO)c(Br)cc2I)c(I)cc1Br.
What is the InChIKey of [2-bromo-5-(4-bromo-2-iodo-5-methoxyphenyl)-4-iodophenyl]methanol?
The InChIKey is ZIBVIVUGZVLFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2I2O2/c1-20-14-3-9(13(18)5-11(14)16)8-2-7(6-19)10(15)4-12(8)17/h2-5,19H,6H2,1H3.
What are the key properties of [2-bromo-5-(4-bromo-2-iodo-5-methoxyphenyl)-4-iodophenyl]methanol?
[2-bromo-5-(4-bromo-2-iodo-5-methoxyphenyl)-4-iodophenyl]methanol has a molecular weight of 623.85 g/mol, XLogP of 5.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-5-(4-bromo-2-iodo-5-methoxyphenyl)-4-iodophenyl]methanol is sourced from PubChem (CID 118148163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).