(2R)-4-iodobut-3-en-2-ol

C4H7IO — CID 57050704

IUPAC(2R)-4-iodobut-3-en-2-ol
SMILESC[C@@H](O)C=CI
InChIInChI=1S/C4H7IO/c1-4(6)2-3-5/h2-4,6H,1H3/t4-/m1/s1
InChIKeySQKUATTXTJVQKE-SCSAIBSYSA-N
MW198.00 g/mol
LogP1.32
Rot. Bonds1

About (2R)-4-iodobut-3-en-2-ol

(2R)-4-iodobut-3-en-2-ol (PubChem CID 57050704) has the molecular formula C4H7IO and a molecular weight of 198.00 g/mol. Its IUPAC name is (2R)-4-iodobut-3-en-2-ol.

Molecular Properties

Compound Name(2R)-4-iodobut-3-en-2-ol
PubChem CID57050704
Molecular FormulaC4H7IO
Molecular Weight198.00 g/mol
Exact Mass197.95
IUPAC Name(2R)-4-iodobut-3-en-2-ol
SMILESC[C@@H](O)C=CI
InChIInChI=1S/C4H7IO/c1-4(6)2-3-5/h2-4,6H,1H3/t4-/m1/s1
InChIKeySQKUATTXTJVQKE-SCSAIBSYSA-N
XLogP1.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.00
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2R)-4-iodobut-3-en-2-ol 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

(E)-5-methylhex-3-en-2-ol
CID 11251985
(Z,2R)-5-methylhex-3-en-2-ol
CID 89011913
(Z,5R)-5-hydroxyhex-3-en-2-one
CID 59975420
(E,5S)-5-hydroxyhex-3-en-2-one
CID 10678210
(E,3S)-1-iodo-3-methylpent-1-ene
CID 24773193
(Z)-4-hydroxypent-2-enal
CID 89185005
cobalt;tetramethylphosphanium
CID 175561525
(E)-6-hydroxy-2,2-dimethylhept-4-en-3-one
CID 130038234
(E,6S)-6-hydroxy-2,2-dimethylhept-4-en-3-one
CID 10702067
(E)-5-hydroxy-2-propan-2-ylhex-3-enoic acid
CID 126596503
(3E,9E)-dodeca-3,9-dien-5,7-diyne-2,11-diol
CID 102249532
(E)-hex-3-ene-2,5-diol;octane-1,8-diol
CID 18968496

Frequently Asked Questions

What is the IUPAC name of (2R)-4-iodobut-3-en-2-ol?
The IUPAC name of (2R)-4-iodobut-3-en-2-ol (CID 57050704) is (2R)-4-iodobut-3-en-2-ol.
What is the SMILES notation for (2R)-4-iodobut-3-en-2-ol?
The canonical SMILES for (2R)-4-iodobut-3-en-2-ol is C[C@@H](O)C=CI.
What is the InChIKey of (2R)-4-iodobut-3-en-2-ol?
The InChIKey is SQKUATTXTJVQKE-SCSAIBSYSA-N. The full InChI is InChI=1S/C4H7IO/c1-4(6)2-3-5/h2-4,6H,1H3/t4-/m1/s1.
What are the key properties of (2R)-4-iodobut-3-en-2-ol?
(2R)-4-iodobut-3-en-2-ol has a molecular weight of 198.00 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-iodobut-3-en-2-ol is sourced from PubChem (CID 57050704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).