methyl 2-[(1R)-6-hydroxy-2,3-dihydro-1H-inden-1-yl]propanoate

C13H16O3 — CID 68632713

IUPACmethyl 2-[(1R)-6-hydroxy-2,3-dihydro-1H-inden-1-yl]propanoate
SMILESCOC(=O)C(C)[C@H]1CCc2ccc(O)cc21
InChIInChI=1S/C13H16O3/c1-8(13(15)16-2)11-6-4-9-3-5-10(14)7-12(9)11/h3,5,7-8,11,14H,4,6H2,1-2H3/t8?,11-/m1/s1
InChIKeyKZTOKTFNZFBKEJ-QHDYGNBISA-N
MW220.27 g/mol
LogP2.23
Rot. Bonds2

About methyl 2-[(1R)-6-hydroxy-2,3-dihydro-1H-inden-1-yl]propanoate

methyl 2-[(1R)-6-hydroxy-2,3-dihydro-1H-inden-1-yl]propanoate (PubChem CID 68632713) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is methyl 2-[(1R)-6-hydroxy-2,3-dihydro-1H-inden-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 2-[(1R)-6-hydroxy-2,3-dihydro-1H-inden-1-yl]propanoate
PubChem CID68632713
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Namemethyl 2-[(1R)-6-hydroxy-2,3-dihydro-1H-inden-1-yl]propanoate
SMILESCOC(=O)C(C)[C@H]1CCc2ccc(O)cc21
InChIInChI=1S/C13H16O3/c1-8(13(15)16-2)11-6-4-9-3-5-10(14)7-12(9)11/h3,5,7-8,11,14H,4,6H2,1-2H3/t8?,11-/m1/s1
InChIKeyKZTOKTFNZFBKEJ-QHDYGNBISA-N
XLogP2.23
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1R)-6-hydroxy-2,3-dihydro-1H-inden-1-yl]propanoate?
The IUPAC name of methyl 2-[(1R)-6-hydroxy-2,3-dihydro-1H-inden-1-yl]propanoate (CID 68632713) is methyl 2-[(1R)-6-hydroxy-2,3-dihydro-1H-inden-1-yl]propanoate.
What is the SMILES notation for methyl 2-[(1R)-6-hydroxy-2,3-dihydro-1H-inden-1-yl]propanoate?
The canonical SMILES for methyl 2-[(1R)-6-hydroxy-2,3-dihydro-1H-inden-1-yl]propanoate is COC(=O)C(C)[C@H]1CCc2ccc(O)cc21.
What is the InChIKey of methyl 2-[(1R)-6-hydroxy-2,3-dihydro-1H-inden-1-yl]propanoate?
The InChIKey is KZTOKTFNZFBKEJ-QHDYGNBISA-N. The full InChI is InChI=1S/C13H16O3/c1-8(13(15)16-2)11-6-4-9-3-5-10(14)7-12(9)11/h3,5,7-8,11,14H,4,6H2,1-2H3/t8?,11-/m1/s1.
What are the key properties of methyl 2-[(1R)-6-hydroxy-2,3-dihydro-1H-inden-1-yl]propanoate?
methyl 2-[(1R)-6-hydroxy-2,3-dihydro-1H-inden-1-yl]propanoate has a molecular weight of 220.27 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1R)-6-hydroxy-2,3-dihydro-1H-inden-1-yl]propanoate is sourced from PubChem (CID 68632713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).