3-[(4-iodophenoxy)methyl]oxolane

C11H13IO2 — CID 60772514

IUPAC3-[(4-iodophenoxy)methyl]oxolane
SMILESIc1ccc(OCC2CCOC2)cc1
InChIInChI=1S/C11H13IO2/c12-10-1-3-11(4-2-10)14-8-9-5-6-13-7-9/h1-4,9H,5-8H2
InChIKeyNPDZUNFLAHJZKR-UHFFFAOYSA-N
MW304.13 g/mol
LogP2.71
Rot. Bonds3

About 3-[(4-iodophenoxy)methyl]oxolane

3-[(4-iodophenoxy)methyl]oxolane (PubChem CID 60772514) has the molecular formula C11H13IO2 and a molecular weight of 304.13 g/mol. Its IUPAC name is 3-[(4-iodophenoxy)methyl]oxolane.

Molecular Properties

Compound Name3-[(4-iodophenoxy)methyl]oxolane
PubChem CID60772514
Molecular FormulaC11H13IO2
Molecular Weight304.13 g/mol
Exact Mass304.00
IUPAC Name3-[(4-iodophenoxy)methyl]oxolane
SMILESIc1ccc(OCC2CCOC2)cc1
InChIInChI=1S/C11H13IO2/c12-10-1-3-11(4-2-10)14-8-9-5-6-13-7-9/h1-4,9H,5-8H2
InChIKeyNPDZUNFLAHJZKR-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(oxolan-3-ylmethoxy)benzenesulfonyl fluoride
CID 166001005
3-[[4-(3-chloroprop-1-ynyl)phenoxy]methyl]oxolane
CID 54977496
(1S)-1-[4-(oxolan-3-ylmethoxy)phenyl]propan-1-ol
CID 78932077
N-[[4-(oxolan-3-ylmethoxy)phenyl]methyl]ethanamine
CID 61311099
1-[4-(oxolan-3-ylmethoxy)phenyl]propan-2-one
CID 115495368
2-methyl-4-(oxolan-3-ylmethoxy)aniline
CID 61313415
(3R)-3-(4-iodophenoxy)oxolane
CID 155595271
trifluoro-[2-methyl-4-(oxolan-3-ylmethoxy)phenyl]boranuide
CID 83134930
2-chloro-5-(oxolan-3-ylmethoxy)benzoic acid
CID 106500594
2-[(4-iodophenoxy)methyl]oxolane
CID 60644314
1-[4-(oxolan-3-ylmethoxy)phenyl]-N-propylpropan-2-amine
CID 115495135
4-N-[4-[4-(oxolan-3-ylmethoxy)phenyl]pyrimidin-2-yl]cyclohexane-1,4-diamine
CID 166300660

Frequently Asked Questions

What is the IUPAC name of 3-[(4-iodophenoxy)methyl]oxolane?
The IUPAC name of 3-[(4-iodophenoxy)methyl]oxolane (CID 60772514) is 3-[(4-iodophenoxy)methyl]oxolane.
What is the SMILES notation for 3-[(4-iodophenoxy)methyl]oxolane?
The canonical SMILES for 3-[(4-iodophenoxy)methyl]oxolane is Ic1ccc(OCC2CCOC2)cc1.
What is the InChIKey of 3-[(4-iodophenoxy)methyl]oxolane?
The InChIKey is NPDZUNFLAHJZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13IO2/c12-10-1-3-11(4-2-10)14-8-9-5-6-13-7-9/h1-4,9H,5-8H2.
What are the key properties of 3-[(4-iodophenoxy)methyl]oxolane?
3-[(4-iodophenoxy)methyl]oxolane has a molecular weight of 304.13 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-iodophenoxy)methyl]oxolane is sourced from PubChem (CID 60772514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).