6-(4-iodophenoxy)hexan-1-ol

C12H17IO2 — CID 58609394

IUPAC6-(4-iodophenoxy)hexan-1-ol
SMILESOCCCCCCOc1ccc(I)cc1
InChIInChI=1S/C12H17IO2/c13-11-5-7-12(8-6-11)15-10-4-2-1-3-9-14/h5-8,14H,1-4,9-10H2
InChIKeyQGOGTSAMBILBDV-UHFFFAOYSA-N
MW320.17 g/mol
LogP3.22
Rot. Bonds7

About 6-(4-iodophenoxy)hexan-1-ol

6-(4-iodophenoxy)hexan-1-ol (PubChem CID 58609394) has the molecular formula C12H17IO2 and a molecular weight of 320.17 g/mol. Its IUPAC name is 6-(4-iodophenoxy)hexan-1-ol.

Molecular Properties

Compound Name6-(4-iodophenoxy)hexan-1-ol
PubChem CID58609394
Molecular FormulaC12H17IO2
Molecular Weight320.17 g/mol
Exact Mass320.03
IUPAC Name6-(4-iodophenoxy)hexan-1-ol
SMILESOCCCCCCOc1ccc(I)cc1
InChIInChI=1S/C12H17IO2/c13-11-5-7-12(8-6-11)15-10-4-2-1-3-9-14/h5-8,14H,1-4,9-10H2
InChIKeyQGOGTSAMBILBDV-UHFFFAOYSA-N
XLogP3.22
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.17
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-(4-iodophenoxy)hexan-1-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

11-[4-[4-(11-hydroxyundecoxy)phenyl]phenoxy]undecan-1-ol
CID 15113939
4-[4-[4-(4-hydroxybutoxy)phenyl]phenoxy]butan-1-ol
CID 71340264
11-(4-methylphenoxy)undecan-1-ol
CID 67541960
9-(4-ethoxyphenoxy)nonan-1-ol
CID 138493488
5-(4-propoxyphenoxy)pentan-1-ol
CID 62227500
1-(4-chlorobutoxy)-4-iodobenzene
CID 58186898
7-phenoxyheptan-1-ol
CID 15856264
6-[4-[[4-(6-hydroxyhexoxy)phenyl]diazenyl]phenoxy]hexan-1-ol
CID 44604101
10-[4-[[4-(10-hydroxydecoxy)phenyl]diazenyl]phenoxy]decan-1-ol
CID 100941913
11-[6-(11-hydroxyundecoxy)naphthalen-2-yl]oxyundecan-1-ol
CID 86182037
8-[4-(aminomethyl)phenoxy]octan-1-ol
CID 71278332
5-(4-phenoxyphenoxy)pentan-1-ol
CID 62229008

Frequently Asked Questions

What is the IUPAC name of 6-(4-iodophenoxy)hexan-1-ol?
The IUPAC name of 6-(4-iodophenoxy)hexan-1-ol (CID 58609394) is 6-(4-iodophenoxy)hexan-1-ol.
What is the SMILES notation for 6-(4-iodophenoxy)hexan-1-ol?
The canonical SMILES for 6-(4-iodophenoxy)hexan-1-ol is OCCCCCCOc1ccc(I)cc1.
What is the InChIKey of 6-(4-iodophenoxy)hexan-1-ol?
The InChIKey is QGOGTSAMBILBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17IO2/c13-11-5-7-12(8-6-11)15-10-4-2-1-3-9-14/h5-8,14H,1-4,9-10H2.
What are the key properties of 6-(4-iodophenoxy)hexan-1-ol?
6-(4-iodophenoxy)hexan-1-ol has a molecular weight of 320.17 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-iodophenoxy)hexan-1-ol is sourced from PubChem (CID 58609394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).