(1R)-5-iodo-1-methoxy-2,3-dihydro-1H-indene

C10H11IO — CID 176929623

IUPAC(1R)-5-iodo-1-methoxy-2,3-dihydro-1H-indene
SMILESCO[C@@H]1CCc2cc(I)ccc21
InChIInChI=1S/C10H11IO/c1-12-10-5-2-7-6-8(11)3-4-9(7)10/h3-4,6,10H,2,5H2,1H3/t10-/m1/s1
InChIKeyGDFJZKJWOXYRRX-SNVBAGLBSA-N
MW274.10 g/mol
LogP2.92
Rot. Bonds1

About (1R)-5-iodo-1-methoxy-2,3-dihydro-1H-indene

(1R)-5-iodo-1-methoxy-2,3-dihydro-1H-indene (PubChem CID 176929623) has the molecular formula C10H11IO and a molecular weight of 274.10 g/mol. Its IUPAC name is (1R)-5-iodo-1-methoxy-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name(1R)-5-iodo-1-methoxy-2,3-dihydro-1H-indene
PubChem CID176929623
Molecular FormulaC10H11IO
Molecular Weight274.10 g/mol
Exact Mass273.99
IUPAC Name(1R)-5-iodo-1-methoxy-2,3-dihydro-1H-indene
SMILESCO[C@@H]1CCc2cc(I)ccc21
InChIInChI=1S/C10H11IO/c1-12-10-5-2-7-6-8(11)3-4-9(7)10/h3-4,6,10H,2,5H2,1H3/t10-/m1/s1
InChIKeyGDFJZKJWOXYRRX-SNVBAGLBSA-N
XLogP2.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.10
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R)-5-iodo-1-methoxy-2,3-dihydro-1H-indene?
The IUPAC name of (1R)-5-iodo-1-methoxy-2,3-dihydro-1H-indene (CID 176929623) is (1R)-5-iodo-1-methoxy-2,3-dihydro-1H-indene.
What is the SMILES notation for (1R)-5-iodo-1-methoxy-2,3-dihydro-1H-indene?
The canonical SMILES for (1R)-5-iodo-1-methoxy-2,3-dihydro-1H-indene is CO[C@@H]1CCc2cc(I)ccc21.
What is the InChIKey of (1R)-5-iodo-1-methoxy-2,3-dihydro-1H-indene?
The InChIKey is GDFJZKJWOXYRRX-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H11IO/c1-12-10-5-2-7-6-8(11)3-4-9(7)10/h3-4,6,10H,2,5H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-5-iodo-1-methoxy-2,3-dihydro-1H-indene?
(1R)-5-iodo-1-methoxy-2,3-dihydro-1H-indene has a molecular weight of 274.10 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-5-iodo-1-methoxy-2,3-dihydro-1H-indene is sourced from PubChem (CID 176929623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).