(E)-5-hydroxy-1-iodo-6-phenylhex-1-en-3-one

C12H13IO2 — CID 101206556

IUPAC(E)-5-hydroxy-1-iodo-6-phenylhex-1-en-3-one
SMILESO=C(/C=C/I)CC(O)Cc1ccccc1
InChIInChI=1S/C12H13IO2/c13-7-6-11(14)9-12(15)8-10-4-2-1-3-5-10/h1-7,12,15H,8-9H2/b7-6+
InChIKeyUTCCEJLOXIVVDB-VOTSOKGWSA-N
MW316.14 g/mol
LogP2.50
Rot. Bonds5

About (E)-5-hydroxy-1-iodo-6-phenylhex-1-en-3-one

(E)-5-hydroxy-1-iodo-6-phenylhex-1-en-3-one (PubChem CID 101206556) has the molecular formula C12H13IO2 and a molecular weight of 316.14 g/mol. Its IUPAC name is (E)-5-hydroxy-1-iodo-6-phenylhex-1-en-3-one.

Molecular Properties

Compound Name(E)-5-hydroxy-1-iodo-6-phenylhex-1-en-3-one
PubChem CID101206556
Molecular FormulaC12H13IO2
Molecular Weight316.14 g/mol
Exact Mass316.00
IUPAC Name(E)-5-hydroxy-1-iodo-6-phenylhex-1-en-3-one
SMILESO=C(/C=C/I)CC(O)Cc1ccccc1
InChIInChI=1S/C12H13IO2/c13-7-6-11(14)9-12(15)8-10-4-2-1-3-5-10/h1-7,12,15H,8-9H2/b7-6+
InChIKeyUTCCEJLOXIVVDB-VOTSOKGWSA-N
XLogP2.50
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.14
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-5-hydroxy-1-iodo-6-phenylhex-1-en-3-one 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

(3R)-3-hydroxy-4-phenylbutanal
CID 13425167
6-hydroxy-8-phenyloct-2-en-4-one
CID 71376619
1,6-diphenylhexane-2,5-diol
CID 15072586
methyl (Z)-5-hydroxy-3-methoxy-6-phenylhex-2-enoate
CID 101474320
(2R)-1-phenylpent-4-en-2-ol
CID 11309688
5-hydroxy-7-phenylhept-1-en-3-one
CID 71376612
4-hydroxy-2-methyl-5-phenylpentanoic acid
CID 57472998
6-(4-fluorophenyl)-5-hydroxy-1-phenylhexan-3-one
CID 24881683
4-O-(2-hydroxy-3-phenylpropyl) 1-O-methyl but-2-enedioate
CID 54428904
pyridin-4-ylmethyl 3-hydroxy-4-phenylbutanoate
CID 154617676
(2R)-2-iodo-3-phenylpropanoic acid
CID 98007642
(2R)-2-hydroxy-3-phenylpropanoic acid;hydrochloride
CID 67010378

Frequently Asked Questions

What is the IUPAC name of (E)-5-hydroxy-1-iodo-6-phenylhex-1-en-3-one?
The IUPAC name of (E)-5-hydroxy-1-iodo-6-phenylhex-1-en-3-one (CID 101206556) is (E)-5-hydroxy-1-iodo-6-phenylhex-1-en-3-one.
What is the SMILES notation for (E)-5-hydroxy-1-iodo-6-phenylhex-1-en-3-one?
The canonical SMILES for (E)-5-hydroxy-1-iodo-6-phenylhex-1-en-3-one is O=C(/C=C/I)CC(O)Cc1ccccc1.
What is the InChIKey of (E)-5-hydroxy-1-iodo-6-phenylhex-1-en-3-one?
The InChIKey is UTCCEJLOXIVVDB-VOTSOKGWSA-N. The full InChI is InChI=1S/C12H13IO2/c13-7-6-11(14)9-12(15)8-10-4-2-1-3-5-10/h1-7,12,15H,8-9H2/b7-6+.
What are the key properties of (E)-5-hydroxy-1-iodo-6-phenylhex-1-en-3-one?
(E)-5-hydroxy-1-iodo-6-phenylhex-1-en-3-one has a molecular weight of 316.14 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-hydroxy-1-iodo-6-phenylhex-1-en-3-one is sourced from PubChem (CID 101206556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).