(1R,2R)-2-iodo-1-propan-2-yloxy-2,3-dihydro-1H-indene

C12H15IO — CID 101064195

IUPAC(1R,2R)-2-iodo-1-propan-2-yloxy-2,3-dihydro-1H-indene
SMILESCC(C)O[C@@H]1c2ccccc2C[C@H]1I
InChIInChI=1S/C12H15IO/c1-8(2)14-12-10-6-4-3-5-9(10)7-11(12)13/h3-6,8,11-12H,7H2,1-2H3/t11-,12-/m1/s1
InChIKeyMKRBQXHWZGTEIS-VXGBXAGGSA-N
MW302.16 g/mol
LogP3.51
Rot. Bonds2

About (1R,2R)-2-iodo-1-propan-2-yloxy-2,3-dihydro-1H-indene

(1R,2R)-2-iodo-1-propan-2-yloxy-2,3-dihydro-1H-indene (PubChem CID 101064195) has the molecular formula C12H15IO and a molecular weight of 302.16 g/mol. Its IUPAC name is (1R,2R)-2-iodo-1-propan-2-yloxy-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name(1R,2R)-2-iodo-1-propan-2-yloxy-2,3-dihydro-1H-indene
PubChem CID101064195
Molecular FormulaC12H15IO
Molecular Weight302.16 g/mol
Exact Mass302.02
IUPAC Name(1R,2R)-2-iodo-1-propan-2-yloxy-2,3-dihydro-1H-indene
SMILESCC(C)O[C@@H]1c2ccccc2C[C@H]1I
InChIInChI=1S/C12H15IO/c1-8(2)14-12-10-6-4-3-5-9(10)7-11(12)13/h3-6,8,11-12H,7H2,1-2H3/t11-,12-/m1/s1
InChIKeyMKRBQXHWZGTEIS-VXGBXAGGSA-N
XLogP3.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.16
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-ethoxy-2-iodo-2,3-dihydro-1H-indene
CID 86218961
(1R,2R)-1-ethoxy-2-iodo-2,3-dihydro-1H-indene
CID 101064194
ethynyl-[[(1S,2S)-2-iodo-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane
CID 12068185
[(1S,2S)-2-iodo-2,3-dihydro-1H-inden-1-yl]oxy-dimethyl-(2-trimethylsilylethynyl)silane
CID 12068182
1,2-diiodo-2,3-dihydro-1H-indene
CID 18913557
(1S,2R)-2-tert-butyl-1-methoxy-2,3-dihydro-1H-indene
CID 71027765
tert-butyl N-[(2R,3R,4R)-3-hydroxy-4-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
CID 18646598
(1S,2S)-2-iodo-2,3-dihydro-1H-inden-1-ol
CID 11821326
N-propan-2-yl-2-propan-2-yloxy-2,3-dihydro-1H-inden-1-amine
CID 58384247
(1S,2R)-N-propan-2-yl-2-propan-2-yloxy-2,3-dihydro-1H-inden-1-amine
CID 58384530
1-[[(1R,2R)-2-ethyl-2,3-dihydro-1H-inden-1-yl]oxy]ethanol
CID 162738830
1-propan-2-yloxy-1,4-dihydroisoquinoline
CID 175902260

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-iodo-1-propan-2-yloxy-2,3-dihydro-1H-indene?
The IUPAC name of (1R,2R)-2-iodo-1-propan-2-yloxy-2,3-dihydro-1H-indene (CID 101064195) is (1R,2R)-2-iodo-1-propan-2-yloxy-2,3-dihydro-1H-indene.
What is the SMILES notation for (1R,2R)-2-iodo-1-propan-2-yloxy-2,3-dihydro-1H-indene?
The canonical SMILES for (1R,2R)-2-iodo-1-propan-2-yloxy-2,3-dihydro-1H-indene is CC(C)O[C@@H]1c2ccccc2C[C@H]1I.
What is the InChIKey of (1R,2R)-2-iodo-1-propan-2-yloxy-2,3-dihydro-1H-indene?
The InChIKey is MKRBQXHWZGTEIS-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H15IO/c1-8(2)14-12-10-6-4-3-5-9(10)7-11(12)13/h3-6,8,11-12H,7H2,1-2H3/t11-,12-/m1/s1.
What are the key properties of (1R,2R)-2-iodo-1-propan-2-yloxy-2,3-dihydro-1H-indene?
(1R,2R)-2-iodo-1-propan-2-yloxy-2,3-dihydro-1H-indene has a molecular weight of 302.16 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-iodo-1-propan-2-yloxy-2,3-dihydro-1H-indene is sourced from PubChem (CID 101064195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).