(1R,2R)-2-amino-4,5,6-trimethoxy-2,3-dihydro-1H-inden-1-ol

C12H17NO4 — CID 54139866

IUPAC(1R,2R)-2-amino-4,5,6-trimethoxy-2,3-dihydro-1H-inden-1-ol
SMILESCOc1cc2c(c(OC)c1OC)C[C@@H](N)[C@@H]2O
InChIInChI=1S/C12H17NO4/c1-15-9-5-6-7(4-8(13)10(6)14)11(16-2)12(9)17-3/h5,8,10,14H,4,13H2,1-3H3/t8-,10-/m1/s1
InChIKeyOAIPEVPIBVXIOP-PSASIEDQSA-N
MW239.27 g/mol
LogP0.63
Rot. Bonds3

About (1R,2R)-2-amino-4,5,6-trimethoxy-2,3-dihydro-1H-inden-1-ol

(1R,2R)-2-amino-4,5,6-trimethoxy-2,3-dihydro-1H-inden-1-ol (PubChem CID 54139866) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is (1R,2R)-2-amino-4,5,6-trimethoxy-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name(1R,2R)-2-amino-4,5,6-trimethoxy-2,3-dihydro-1H-inden-1-ol
PubChem CID54139866
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name(1R,2R)-2-amino-4,5,6-trimethoxy-2,3-dihydro-1H-inden-1-ol
SMILESCOc1cc2c(c(OC)c1OC)C[C@@H](N)[C@@H]2O
InChIInChI=1S/C12H17NO4/c1-15-9-5-6-7(4-8(13)10(6)14)11(16-2)12(9)17-3/h5,8,10,14H,4,13H2,1-3H3/t8-,10-/m1/s1
InChIKeyOAIPEVPIBVXIOP-PSASIEDQSA-N
XLogP0.63
TPSA73.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-amino-4,5,6-trimethoxy-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of (1R,2R)-2-amino-4,5,6-trimethoxy-2,3-dihydro-1H-inden-1-ol (CID 54139866) is (1R,2R)-2-amino-4,5,6-trimethoxy-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for (1R,2R)-2-amino-4,5,6-trimethoxy-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for (1R,2R)-2-amino-4,5,6-trimethoxy-2,3-dihydro-1H-inden-1-ol is COc1cc2c(c(OC)c1OC)C[C@@H](N)[C@@H]2O.
What is the InChIKey of (1R,2R)-2-amino-4,5,6-trimethoxy-2,3-dihydro-1H-inden-1-ol?
The InChIKey is OAIPEVPIBVXIOP-PSASIEDQSA-N. The full InChI is InChI=1S/C12H17NO4/c1-15-9-5-6-7(4-8(13)10(6)14)11(16-2)12(9)17-3/h5,8,10,14H,4,13H2,1-3H3/t8-,10-/m1/s1.
What are the key properties of (1R,2R)-2-amino-4,5,6-trimethoxy-2,3-dihydro-1H-inden-1-ol?
(1R,2R)-2-amino-4,5,6-trimethoxy-2,3-dihydro-1H-inden-1-ol has a molecular weight of 239.27 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-amino-4,5,6-trimethoxy-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 54139866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).