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

C11H13IO — CID 101064194

IUPAC(1R,2R)-1-ethoxy-2-iodo-2,3-dihydro-1H-indene
SMILESCCO[C@@H]1c2ccccc2C[C@H]1I
InChIInChI=1S/C11H13IO/c1-2-13-11-9-6-4-3-5-8(9)7-10(11)12/h3-6,10-11H,2,7H2,1H3/t10-,11-/m1/s1
InChIKeyHUWXCFFKKHKCEB-GHMZBOCLSA-N
MW288.13 g/mol
LogP3.12
Rot. Bonds2

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

(1R,2R)-1-ethoxy-2-iodo-2,3-dihydro-1H-indene (PubChem CID 101064194) has the molecular formula C11H13IO and a molecular weight of 288.13 g/mol. Its IUPAC name is (1R,2R)-1-ethoxy-2-iodo-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name(1R,2R)-1-ethoxy-2-iodo-2,3-dihydro-1H-indene
PubChem CID101064194
Molecular FormulaC11H13IO
Molecular Weight288.13 g/mol
Exact Mass288.00
IUPAC Name(1R,2R)-1-ethoxy-2-iodo-2,3-dihydro-1H-indene
SMILESCCO[C@@H]1c2ccccc2C[C@H]1I
InChIInChI=1S/C11H13IO/c1-2-13-11-9-6-4-3-5-8(9)7-10(11)12/h3-6,10-11H,2,7H2,1H3/t10-,11-/m1/s1
InChIKeyHUWXCFFKKHKCEB-GHMZBOCLSA-N
XLogP3.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.13
LogP ≤ 53.12
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
1-ethoxy-2,3-dihydro-1H-inden-2-ol
CID 12602279
(2R)-1-ethoxy-2-methyl-2,3-dihydro-1H-indene
CID 59880475
(1R,2R)-2-iodo-1-propan-2-yloxy-2,3-dihydro-1H-indene
CID 101064195
(1S)-2-azido-1-ethoxy-2,3-dihydro-1H-indene
CID 130277539
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
1,3-diethoxy-1,2,3,4-tetrahydroisoquinoline
CID 57311823
(1S,2S)-2-iodo-2,3-dihydro-1H-inden-1-ol
CID 11821326
(1S,2S)-1,2-dimethoxy-2,3-dihydro-1H-indene
CID 23270875
2,3-diethoxy-3,4-dihydro-2H-naphthalen-1-one
CID 70423152

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-ethoxy-2-iodo-2,3-dihydro-1H-indene?
The IUPAC name of (1R,2R)-1-ethoxy-2-iodo-2,3-dihydro-1H-indene (CID 101064194) is (1R,2R)-1-ethoxy-2-iodo-2,3-dihydro-1H-indene.
What is the SMILES notation for (1R,2R)-1-ethoxy-2-iodo-2,3-dihydro-1H-indene?
The canonical SMILES for (1R,2R)-1-ethoxy-2-iodo-2,3-dihydro-1H-indene is CCO[C@@H]1c2ccccc2C[C@H]1I.
What is the InChIKey of (1R,2R)-1-ethoxy-2-iodo-2,3-dihydro-1H-indene?
The InChIKey is HUWXCFFKKHKCEB-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H13IO/c1-2-13-11-9-6-4-3-5-8(9)7-10(11)12/h3-6,10-11H,2,7H2,1H3/t10-,11-/m1/s1.
What are the key properties of (1R,2R)-1-ethoxy-2-iodo-2,3-dihydro-1H-indene?
(1R,2R)-1-ethoxy-2-iodo-2,3-dihydro-1H-indene has a molecular weight of 288.13 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-ethoxy-2-iodo-2,3-dihydro-1H-indene is sourced from PubChem (CID 101064194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).