(E)-2-bromo-3-iodobut-2-ene-1,4-diol

C4H6BrIO2 — CID 134167980

IUPAC(E)-2-bromo-3-iodobut-2-ene-1,4-diol
SMILESOC/C(Br)=C(\I)CO
InChIInChI=1S/C4H6BrIO2/c5-3(1-7)4(6)2-8/h7-8H,1-2H2/b4-3+
InChIKeyNSCUJFSYFICJNC-ONEGZZNKSA-N
MW292.90 g/mol
LogP1.01
Rot. Bonds2

About (E)-2-bromo-3-iodobut-2-ene-1,4-diol

(E)-2-bromo-3-iodobut-2-ene-1,4-diol (PubChem CID 134167980) has the molecular formula C4H6BrIO2 and a molecular weight of 292.90 g/mol. Its IUPAC name is (E)-2-bromo-3-iodobut-2-ene-1,4-diol.

Molecular Properties

Compound Name(E)-2-bromo-3-iodobut-2-ene-1,4-diol
PubChem CID134167980
Molecular FormulaC4H6BrIO2
Molecular Weight292.90 g/mol
Exact Mass291.86
IUPAC Name(E)-2-bromo-3-iodobut-2-ene-1,4-diol
SMILESOC/C(Br)=C(\I)CO
InChIInChI=1S/C4H6BrIO2/c5-3(1-7)4(6)2-8/h7-8H,1-2H2/b4-3+
InChIKeyNSCUJFSYFICJNC-ONEGZZNKSA-N
XLogP1.01
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.90
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3,4-tribromobut-2-en-1-ol
CID 54535645
(E)-2,3-diiodobut-2-en-1-ol
CID 53376977
(E)-1,2-dibromo-1,2-diiodoethene
CID 23510618
methanediol;tungsten
CID 58612637
potassium methanediol
CID 22156370
(Z)-3-iodo-2-methyl-3-trimethylgermylprop-2-en-1-ol
CID 134906174
2,3-diiodoprop-2-en-1-ol
CID 72725841
bromomethanol
CID 11708052
(2Z)-4-bromo-2-(bromomethylidene)pent-4-en-1-ol
CID 10777426
(Z)-3-chloro-2-iodoprop-2-en-1-ol
CID 11694235
(3-bromo-2,3-diiodoprop-2-enyl) formate
CID 54454729
2-bromo-2-cyclopropylideneethanol
CID 130128536

Frequently Asked Questions

What is the IUPAC name of (E)-2-bromo-3-iodobut-2-ene-1,4-diol?
The IUPAC name of (E)-2-bromo-3-iodobut-2-ene-1,4-diol (CID 134167980) is (E)-2-bromo-3-iodobut-2-ene-1,4-diol.
What is the SMILES notation for (E)-2-bromo-3-iodobut-2-ene-1,4-diol?
The canonical SMILES for (E)-2-bromo-3-iodobut-2-ene-1,4-diol is OC/C(Br)=C(\I)CO.
What is the InChIKey of (E)-2-bromo-3-iodobut-2-ene-1,4-diol?
The InChIKey is NSCUJFSYFICJNC-ONEGZZNKSA-N. The full InChI is InChI=1S/C4H6BrIO2/c5-3(1-7)4(6)2-8/h7-8H,1-2H2/b4-3+.
What are the key properties of (E)-2-bromo-3-iodobut-2-ene-1,4-diol?
(E)-2-bromo-3-iodobut-2-ene-1,4-diol has a molecular weight of 292.90 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-bromo-3-iodobut-2-ene-1,4-diol is sourced from PubChem (CID 134167980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).