2-[(4-iodophenoxy)methyl]oxolane

C11H13IO2 — CID 60644314

IUPAC2-[(4-iodophenoxy)methyl]oxolane
SMILESIc1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C11H13IO2/c12-9-3-5-10(6-4-9)14-8-11-2-1-7-13-11/h3-6,11H,1-2,7-8H2
InChIKeyHXLAPXKXOCUDHV-UHFFFAOYSA-N
MW304.13 g/mol
LogP2.85
Rot. Bonds3

About 2-[(4-iodophenoxy)methyl]oxolane

2-[(4-iodophenoxy)methyl]oxolane (PubChem CID 60644314) has the molecular formula C11H13IO2 and a molecular weight of 304.13 g/mol. Its IUPAC name is 2-[(4-iodophenoxy)methyl]oxolane.

Molecular Properties

Compound Name2-[(4-iodophenoxy)methyl]oxolane
PubChem CID60644314
Molecular FormulaC11H13IO2
Molecular Weight304.13 g/mol
Exact Mass304.00
IUPAC Name2-[(4-iodophenoxy)methyl]oxolane
SMILESIc1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C11H13IO2/c12-9-3-5-10(6-4-9)14-8-11-2-1-7-13-11/h3-6,11H,1-2,7-8H2
InChIKeyHXLAPXKXOCUDHV-UHFFFAOYSA-N
XLogP2.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.13
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(4-iodophenoxy)methyl]oxolane 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

N-methyl-4-(oxolan-2-ylmethoxy)aniline
CID 54803460
4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 2541314
potassium trifluoro-[4-(oxolan-2-ylmethoxy)phenyl]boranuide
CID 63677667
(1S)-1-[4-(oxolan-2-ylmethoxy)phenyl]ethanol
CID 63364123
N-(cyclopropylmethyl)-4-(oxolan-2-ylmethoxy)aniline
CID 54799656
N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopentanamine
CID 54798939
[4-[4-(oxolan-2-ylmethoxy)phenyl]phenyl]methanamine
CID 43174548
1,3-bis[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 41436663
(NE)-N-[1-[4-(oxolan-2-ylmethoxy)phenyl]ethylidene]hydroxylamine
CID 24690511
1-[4-(oxolan-2-ylmethoxy)phenyl]propan-1-one
CID 24702536
4-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1,2,4-triazole
CID 95127690
2-bromo-5-(oxolan-2-ylmethoxy)pyridine
CID 104853752

Frequently Asked Questions

What is the IUPAC name of 2-[(4-iodophenoxy)methyl]oxolane?
The IUPAC name of 2-[(4-iodophenoxy)methyl]oxolane (CID 60644314) is 2-[(4-iodophenoxy)methyl]oxolane.
What is the SMILES notation for 2-[(4-iodophenoxy)methyl]oxolane?
The canonical SMILES for 2-[(4-iodophenoxy)methyl]oxolane is Ic1ccc(OCC2CCCO2)cc1.
What is the InChIKey of 2-[(4-iodophenoxy)methyl]oxolane?
The InChIKey is HXLAPXKXOCUDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13IO2/c12-9-3-5-10(6-4-9)14-8-11-2-1-7-13-11/h3-6,11H,1-2,7-8H2.
What are the key properties of 2-[(4-iodophenoxy)methyl]oxolane?
2-[(4-iodophenoxy)methyl]oxolane has a molecular weight of 304.13 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-iodophenoxy)methyl]oxolane is sourced from PubChem (CID 60644314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).