methyl 2-(2-hydroxy-1,3-dihydroinden-2-yl)propanoate

C13H16O3 — CID 62394007

IUPACmethyl 2-(2-hydroxy-1,3-dihydroinden-2-yl)propanoate
SMILESCOC(=O)C(C)C1(O)Cc2ccccc2C1
InChIInChI=1S/C13H16O3/c1-9(12(14)16-2)13(15)7-10-5-3-4-6-11(10)8-13/h3-6,9,15H,7-8H2,1-2H3
InChIKeyXJXPZNHTUKBVLI-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.33
Rot. Bonds2

About methyl 2-(2-hydroxy-1,3-dihydroinden-2-yl)propanoate

methyl 2-(2-hydroxy-1,3-dihydroinden-2-yl)propanoate (PubChem CID 62394007) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is methyl 2-(2-hydroxy-1,3-dihydroinden-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(2-hydroxy-1,3-dihydroinden-2-yl)propanoate
PubChem CID62394007
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Namemethyl 2-(2-hydroxy-1,3-dihydroinden-2-yl)propanoate
SMILESCOC(=O)C(C)C1(O)Cc2ccccc2C1
InChIInChI=1S/C13H16O3/c1-9(12(14)16-2)13(15)7-10-5-3-4-6-11(10)8-13/h3-6,9,15H,7-8H2,1-2H3
InChIKeyXJXPZNHTUKBVLI-UHFFFAOYSA-N
XLogP1.33
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 ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-hydroxy-1,3-dihydroinden-2-yl)propanoate?
The IUPAC name of methyl 2-(2-hydroxy-1,3-dihydroinden-2-yl)propanoate (CID 62394007) is methyl 2-(2-hydroxy-1,3-dihydroinden-2-yl)propanoate.
What is the SMILES notation for methyl 2-(2-hydroxy-1,3-dihydroinden-2-yl)propanoate?
The canonical SMILES for methyl 2-(2-hydroxy-1,3-dihydroinden-2-yl)propanoate is COC(=O)C(C)C1(O)Cc2ccccc2C1.
What is the InChIKey of methyl 2-(2-hydroxy-1,3-dihydroinden-2-yl)propanoate?
The InChIKey is XJXPZNHTUKBVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-9(12(14)16-2)13(15)7-10-5-3-4-6-11(10)8-13/h3-6,9,15H,7-8H2,1-2H3.
What are the key properties of methyl 2-(2-hydroxy-1,3-dihydroinden-2-yl)propanoate?
methyl 2-(2-hydroxy-1,3-dihydroinden-2-yl)propanoate has a molecular weight of 220.27 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-hydroxy-1,3-dihydroinden-2-yl)propanoate is sourced from PubChem (CID 62394007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).