(2Z)-3-bromohexa-2,4-diene-2,5-diol

C6H9BrO2 — CID 174097321

IUPAC(2Z)-3-bromohexa-2,4-diene-2,5-diol
SMILESCC(O)=C/C(Br)=C(\C)O
InChIInChI=1S/C6H9BrO2/c1-4(8)3-6(7)5(2)9/h3,8-9H,1-2H3/b4-3?,6-5-
InChIKeyFFKGZXRATOZUDW-FHMHXFBPSA-N
MW193.04 g/mol
LogP2.63
Rot. Bonds1

About (2Z)-3-bromohexa-2,4-diene-2,5-diol

(2Z)-3-bromohexa-2,4-diene-2,5-diol (PubChem CID 174097321) has the molecular formula C6H9BrO2 and a molecular weight of 193.04 g/mol. Its IUPAC name is (2Z)-3-bromohexa-2,4-diene-2,5-diol.

Molecular Properties

Compound Name(2Z)-3-bromohexa-2,4-diene-2,5-diol
PubChem CID174097321
Molecular FormulaC6H9BrO2
Molecular Weight193.04 g/mol
Exact Mass191.98
IUPAC Name(2Z)-3-bromohexa-2,4-diene-2,5-diol
SMILESCC(O)=C/C(Br)=C(\C)O
InChIInChI=1S/C6H9BrO2/c1-4(8)3-6(7)5(2)9/h3,8-9H,1-2H3/b4-3?,6-5-
InChIKeyFFKGZXRATOZUDW-FHMHXFBPSA-N
XLogP2.63
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.04
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2Z)-3-bromohexa-2,4-diene-2,5-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

pentakis((Z)-4-hydroxypent-3-en-2-one);(E)-4-hydroxypent-3-en-2-one;iron
CID 176885193
(3E)-penta-1,3-diene-2,4-diol
CID 21340298
hafnium;tetrakis((Z)-4-hydroxypent-3-en-2-one)
CID 11330624
hafnium;tetrakis((E)-4-hydroxypent-3-en-2-one)
CID 53393529
tris(4-hydroxypent-3-en-2-one);thulium
CID 175647568
tris((Z)-4-hydroxypent-3-en-2-one);ruthenium
CID 5364023
cobalt;tris((E)-4-hydroxypent-3-en-2-one)
CID 11100361
bis((Z)-4-hydroxypent-3-en-2-one);rhodium
CID 11358512
CID 6826582
CID 6826582
CID 10892468
CID 10892468
4-hydroxypent-3-en-2-one;titanium
CID 162678859
tris((Z)-4-hydroxypent-3-en-2-one);manganese(3+)
CID 6477710

Frequently Asked Questions

What is the IUPAC name of (2Z)-3-bromohexa-2,4-diene-2,5-diol?
The IUPAC name of (2Z)-3-bromohexa-2,4-diene-2,5-diol (CID 174097321) is (2Z)-3-bromohexa-2,4-diene-2,5-diol.
What is the SMILES notation for (2Z)-3-bromohexa-2,4-diene-2,5-diol?
The canonical SMILES for (2Z)-3-bromohexa-2,4-diene-2,5-diol is CC(O)=C/C(Br)=C(\C)O.
What is the InChIKey of (2Z)-3-bromohexa-2,4-diene-2,5-diol?
The InChIKey is FFKGZXRATOZUDW-FHMHXFBPSA-N. The full InChI is InChI=1S/C6H9BrO2/c1-4(8)3-6(7)5(2)9/h3,8-9H,1-2H3/b4-3?,6-5-.
What are the key properties of (2Z)-3-bromohexa-2,4-diene-2,5-diol?
(2Z)-3-bromohexa-2,4-diene-2,5-diol has a molecular weight of 193.04 g/mol, XLogP of 2.63, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-bromohexa-2,4-diene-2,5-diol is sourced from PubChem (CID 174097321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).