1-bromo-4-iodo-2-methoxybenzene;1-(4-bromo-3-methoxyphenyl)cyclobutan-1-ol

C18H19Br2IO3 — CID 159434084

IUPAC1-bromo-4-iodo-2-methoxybenzene;1-(4-bromo-3-methoxyphenyl)cyclobutan-1-ol
SMILESCOc1cc(C2(O)CCC2)ccc1Br.COc1cc(I)ccc1Br
InChIInChI=1S/C11H13BrO2.C7H6BrIO/c1-14-10-7-8(3-4-9(10)12)11(13)5-2-6-11;1-10-7-4-5(9)2-3-6(7)8/h3-4,7,13H,2,5-6H2,1H3;2-4H,1H3
InChIKeyLRISBFDRPZXJGW-UHFFFAOYSA-N
MW570.06 g/mol
LogP5.89
Rot. Bonds3

About 1-bromo-4-iodo-2-methoxybenzene;1-(4-bromo-3-methoxyphenyl)cyclobutan-1-ol

1-bromo-4-iodo-2-methoxybenzene;1-(4-bromo-3-methoxyphenyl)cyclobutan-1-ol (PubChem CID 159434084) has the molecular formula C18H19Br2IO3 and a molecular weight of 570.06 g/mol. Its IUPAC name is 1-bromo-4-iodo-2-methoxybenzene;1-(4-bromo-3-methoxyphenyl)cyclobutan-1-ol.

Molecular Properties

Compound Name1-bromo-4-iodo-2-methoxybenzene;1-(4-bromo-3-methoxyphenyl)cyclobutan-1-ol
PubChem CID159434084
Molecular FormulaC18H19Br2IO3
Molecular Weight570.06 g/mol
Exact Mass567.87
IUPAC Name1-bromo-4-iodo-2-methoxybenzene;1-(4-bromo-3-methoxyphenyl)cyclobutan-1-ol
SMILESCOc1cc(C2(O)CCC2)ccc1Br.COc1cc(I)ccc1Br
InChIInChI=1S/C11H13BrO2.C7H6BrIO/c1-14-10-7-8(3-4-9(10)12)11(13)5-2-6-11;1-10-7-4-5(9)2-3-6(7)8/h3-4,7,13H,2,5-6H2,1H3;2-4H,1H3
InChIKeyLRISBFDRPZXJGW-UHFFFAOYSA-N
XLogP5.89
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.06
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-iodo-2-methoxybenzene;1-(4-bromo-3-methoxyphenyl)cyclobutan-1-ol?
The IUPAC name of 1-bromo-4-iodo-2-methoxybenzene;1-(4-bromo-3-methoxyphenyl)cyclobutan-1-ol (CID 159434084) is 1-bromo-4-iodo-2-methoxybenzene;1-(4-bromo-3-methoxyphenyl)cyclobutan-1-ol.
What is the SMILES notation for 1-bromo-4-iodo-2-methoxybenzene;1-(4-bromo-3-methoxyphenyl)cyclobutan-1-ol?
The canonical SMILES for 1-bromo-4-iodo-2-methoxybenzene;1-(4-bromo-3-methoxyphenyl)cyclobutan-1-ol is COc1cc(C2(O)CCC2)ccc1Br.COc1cc(I)ccc1Br.
What is the InChIKey of 1-bromo-4-iodo-2-methoxybenzene;1-(4-bromo-3-methoxyphenyl)cyclobutan-1-ol?
The InChIKey is LRISBFDRPZXJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO2.C7H6BrIO/c1-14-10-7-8(3-4-9(10)12)11(13)5-2-6-11;1-10-7-4-5(9)2-3-6(7)8/h3-4,7,13H,2,5-6H2,1H3;2-4H,1H3.
What are the key properties of 1-bromo-4-iodo-2-methoxybenzene;1-(4-bromo-3-methoxyphenyl)cyclobutan-1-ol?
1-bromo-4-iodo-2-methoxybenzene;1-(4-bromo-3-methoxyphenyl)cyclobutan-1-ol has a molecular weight of 570.06 g/mol, XLogP of 5.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-iodo-2-methoxybenzene;1-(4-bromo-3-methoxyphenyl)cyclobutan-1-ol is sourced from PubChem (CID 159434084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).