(1S,2S)-1,2-dimethoxy-2,3-dihydro-1H-indene

C11H14O2 — CID 23270875

IUPAC(1S,2S)-1,2-dimethoxy-2,3-dihydro-1H-indene
SMILESCO[C@H]1Cc2ccccc2[C@@H]1OC
InChIInChI=1S/C11H14O2/c1-12-10-7-8-5-3-4-6-9(8)11(10)13-2/h3-6,10-11H,7H2,1-2H3/t10-,11-/m0/s1
InChIKeyUNIZBJQAEVZXDB-QWRGUYRKSA-N
MW178.23 g/mol
LogP1.95
Rot. Bonds2

About (1S,2S)-1,2-dimethoxy-2,3-dihydro-1H-indene

(1S,2S)-1,2-dimethoxy-2,3-dihydro-1H-indene (PubChem CID 23270875) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is (1S,2S)-1,2-dimethoxy-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name(1S,2S)-1,2-dimethoxy-2,3-dihydro-1H-indene
PubChem CID23270875
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name(1S,2S)-1,2-dimethoxy-2,3-dihydro-1H-indene
SMILESCO[C@H]1Cc2ccccc2[C@@H]1OC
InChIInChI=1S/C11H14O2/c1-12-10-7-8-5-3-4-6-9(8)11(10)13-2/h3-6,10-11H,7H2,1-2H3/t10-,11-/m0/s1
InChIKeyUNIZBJQAEVZXDB-QWRGUYRKSA-N
XLogP1.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R)-2-tert-butyl-1-methoxy-2,3-dihydro-1H-indene
CID 71027765
2-[(1R,2R)-2-methoxy-2,3-dihydro-1H-inden-1-yl]-1,3-dihydroisoindole
CID 141180935
(1R)-2-methoxy-N-propan-2-yl-2,3-dihydro-1H-inden-1-amine
CID 166823758
2-[(1S,2S)-2-methoxy-2,3-dihydro-1H-inden-1-yl]isoindole-1,3-dione
CID 168865064
dimethyl (1S,2R,3R)-1-methoxy-1,2,3,4-tetrahydronaphthalene-2,3-dicarboxylate
CID 13171844
2-methoxy-4-[(2-methyl-2,3-dihydro-1H-inden-1-yl)oxy]cyclohexan-1-ol
CID 5314345
(2R)-1-ethoxy-2-methyl-2,3-dihydro-1H-indene
CID 59880475
1-ethoxy-2,3-dihydro-1H-inden-2-ol
CID 12602279
(1R,2R)-1-ethoxy-2-iodo-2,3-dihydro-1H-indene
CID 101064194
(1R,2R)-2-iodo-1-propan-2-yloxy-2,3-dihydro-1H-indene
CID 101064195
(1S,2R)-1-methyl-2-[2-[2-[[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]oxy]ethoxy]ethoxy]-2,3-dihydro-1H-indene
CID 155763743
1-ethoxy-2-iodo-2,3-dihydro-1H-indene
CID 86218961

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1,2-dimethoxy-2,3-dihydro-1H-indene?
The IUPAC name of (1S,2S)-1,2-dimethoxy-2,3-dihydro-1H-indene (CID 23270875) is (1S,2S)-1,2-dimethoxy-2,3-dihydro-1H-indene.
What is the SMILES notation for (1S,2S)-1,2-dimethoxy-2,3-dihydro-1H-indene?
The canonical SMILES for (1S,2S)-1,2-dimethoxy-2,3-dihydro-1H-indene is CO[C@H]1Cc2ccccc2[C@@H]1OC.
What is the InChIKey of (1S,2S)-1,2-dimethoxy-2,3-dihydro-1H-indene?
The InChIKey is UNIZBJQAEVZXDB-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H14O2/c1-12-10-7-8-5-3-4-6-9(8)11(10)13-2/h3-6,10-11H,7H2,1-2H3/t10-,11-/m0/s1.
What are the key properties of (1S,2S)-1,2-dimethoxy-2,3-dihydro-1H-indene?
(1S,2S)-1,2-dimethoxy-2,3-dihydro-1H-indene has a molecular weight of 178.23 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1,2-dimethoxy-2,3-dihydro-1H-indene is sourced from PubChem (CID 23270875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).