3-iodo-5-(1-methoxyethyl)-2-phenylfuran

C13H13IO2 — CID 101451448

IUPAC3-iodo-5-(1-methoxyethyl)-2-phenylfuran
SMILESCOC(C)c1cc(I)c(-c2ccccc2)o1
InChIInChI=1S/C13H13IO2/c1-9(15-2)12-8-11(14)13(16-12)10-6-4-3-5-7-10/h3-9H,1-2H3
InChIKeyIKSSDZPSLNRPIG-UHFFFAOYSA-N
MW328.15 g/mol
LogP4.26
Rot. Bonds3

About 3-iodo-5-(1-methoxyethyl)-2-phenylfuran

3-iodo-5-(1-methoxyethyl)-2-phenylfuran (PubChem CID 101451448) has the molecular formula C13H13IO2 and a molecular weight of 328.15 g/mol. Its IUPAC name is 3-iodo-5-(1-methoxyethyl)-2-phenylfuran.

Molecular Properties

Compound Name3-iodo-5-(1-methoxyethyl)-2-phenylfuran
PubChem CID101451448
Molecular FormulaC13H13IO2
Molecular Weight328.15 g/mol
Exact Mass328.00
IUPAC Name3-iodo-5-(1-methoxyethyl)-2-phenylfuran
SMILESCOC(C)c1cc(I)c(-c2ccccc2)o1
InChIInChI=1S/C13H13IO2/c1-9(15-2)12-8-11(14)13(16-12)10-6-4-3-5-7-10/h3-9H,1-2H3
InChIKeyIKSSDZPSLNRPIG-UHFFFAOYSA-N
XLogP4.26
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.15
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-iodo-5-(1-methoxyethyl)-2-phenylfuran?
The IUPAC name of 3-iodo-5-(1-methoxyethyl)-2-phenylfuran (CID 101451448) is 3-iodo-5-(1-methoxyethyl)-2-phenylfuran.
What is the SMILES notation for 3-iodo-5-(1-methoxyethyl)-2-phenylfuran?
The canonical SMILES for 3-iodo-5-(1-methoxyethyl)-2-phenylfuran is COC(C)c1cc(I)c(-c2ccccc2)o1.
What is the InChIKey of 3-iodo-5-(1-methoxyethyl)-2-phenylfuran?
The InChIKey is IKSSDZPSLNRPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13IO2/c1-9(15-2)12-8-11(14)13(16-12)10-6-4-3-5-7-10/h3-9H,1-2H3.
What are the key properties of 3-iodo-5-(1-methoxyethyl)-2-phenylfuran?
3-iodo-5-(1-methoxyethyl)-2-phenylfuran has a molecular weight of 328.15 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-5-(1-methoxyethyl)-2-phenylfuran is sourced from PubChem (CID 101451448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).