2,3-diiodoprop-2-en-1-ol

C3H4I2O — CID 72725841

IUPAC2,3-diiodoprop-2-en-1-ol
SMILESOCC(I)=CI
InChIInChI=1S/C3H4I2O/c4-1-3(5)2-6/h1,6H,2H2
InChIKeyCYYOKOZRJLDIIJ-UHFFFAOYSA-N
MW309.87 g/mol
LogP1.69
Rot. Bonds1

About 2,3-diiodoprop-2-en-1-ol

2,3-diiodoprop-2-en-1-ol (PubChem CID 72725841) has the molecular formula C3H4I2O and a molecular weight of 309.87 g/mol. Its IUPAC name is 2,3-diiodoprop-2-en-1-ol.

Molecular Properties

Compound Name2,3-diiodoprop-2-en-1-ol
PubChem CID72725841
Molecular FormulaC3H4I2O
Molecular Weight309.87 g/mol
Exact Mass309.84
IUPAC Name2,3-diiodoprop-2-en-1-ol
SMILESOCC(I)=CI
InChIInChI=1S/C3H4I2O/c4-1-3(5)2-6/h1,6H,2H2
InChIKeyCYYOKOZRJLDIIJ-UHFFFAOYSA-N
XLogP1.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.87
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,4,4-trifluoro-2-iodobut-2-en-1-ol
CID 2782433
(Z)-3-chloro-2-iodoprop-2-en-1-ol
CID 11694235
1,1,2-triiodoethene
CID 11750092
(E)-1,2-diiodohept-1-ene
CID 15312157
(E)-1,2-diiododec-1-ene
CID 11361339
(E)-1-chloro-1,2-diiodoethene
CID 87733481
4-bromo-5-hydroxypent-3-en-2-one
CID 21347793
(Z)-2-fluoro-3-iodoprop-2-en-1-amine
CID 118311934
methanediol;tungsten
CID 58612637
(E,2R)-5-iodo-4-methylpent-4-ene-1,2-diol
CID 11851117
(Z,2S)-5-iodo-4-methylpent-4-ene-1,2-diol
CID 11149183
potassium methanediol
CID 22156370

Frequently Asked Questions

What is the IUPAC name of 2,3-diiodoprop-2-en-1-ol?
The IUPAC name of 2,3-diiodoprop-2-en-1-ol (CID 72725841) is 2,3-diiodoprop-2-en-1-ol.
What is the SMILES notation for 2,3-diiodoprop-2-en-1-ol?
The canonical SMILES for 2,3-diiodoprop-2-en-1-ol is OCC(I)=CI.
What is the InChIKey of 2,3-diiodoprop-2-en-1-ol?
The InChIKey is CYYOKOZRJLDIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4I2O/c4-1-3(5)2-6/h1,6H,2H2.
What are the key properties of 2,3-diiodoprop-2-en-1-ol?
2,3-diiodoprop-2-en-1-ol has a molecular weight of 309.87 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diiodoprop-2-en-1-ol is sourced from PubChem (CID 72725841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).