ethyl (1R,2R)-1-hydroxy-2,3-dihydro-1H-indene-2-carboxylate

C12H14O3 — CID 102322788

IUPACethyl (1R,2R)-1-hydroxy-2,3-dihydro-1H-indene-2-carboxylate
SMILESCCOC(=O)[C@@H]1Cc2ccccc2[C@@H]1O
InChIInChI=1S/C12H14O3/c1-2-15-12(14)10-7-8-5-3-4-6-9(8)11(10)13/h3-6,10-11,13H,2,7H2,1H3/t10-,11+/m1/s1
InChIKeyBYUAUZORSRYAIQ-MNOVXSKESA-N
MW206.24 g/mol
LogP1.46
Rot. Bonds2

About ethyl (1R,2R)-1-hydroxy-2,3-dihydro-1H-indene-2-carboxylate

ethyl (1R,2R)-1-hydroxy-2,3-dihydro-1H-indene-2-carboxylate (PubChem CID 102322788) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is ethyl (1R,2R)-1-hydroxy-2,3-dihydro-1H-indene-2-carboxylate.

Molecular Properties

Compound Nameethyl (1R,2R)-1-hydroxy-2,3-dihydro-1H-indene-2-carboxylate
PubChem CID102322788
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Nameethyl (1R,2R)-1-hydroxy-2,3-dihydro-1H-indene-2-carboxylate
SMILESCCOC(=O)[C@@H]1Cc2ccccc2[C@@H]1O
InChIInChI=1S/C12H14O3/c1-2-15-12(14)10-7-8-5-3-4-6-9(8)11(10)13/h3-6,10-11,13H,2,7H2,1H3/t10-,11+/m1/s1
InChIKeyBYUAUZORSRYAIQ-MNOVXSKESA-N
XLogP1.46
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl (1R,2R)-1-hydroxy-2,3-dihydro-1H-indene-2-carboxylate?
The IUPAC name of ethyl (1R,2R)-1-hydroxy-2,3-dihydro-1H-indene-2-carboxylate (CID 102322788) is ethyl (1R,2R)-1-hydroxy-2,3-dihydro-1H-indene-2-carboxylate.
What is the SMILES notation for ethyl (1R,2R)-1-hydroxy-2,3-dihydro-1H-indene-2-carboxylate?
The canonical SMILES for ethyl (1R,2R)-1-hydroxy-2,3-dihydro-1H-indene-2-carboxylate is CCOC(=O)[C@@H]1Cc2ccccc2[C@@H]1O.
What is the InChIKey of ethyl (1R,2R)-1-hydroxy-2,3-dihydro-1H-indene-2-carboxylate?
The InChIKey is BYUAUZORSRYAIQ-MNOVXSKESA-N. The full InChI is InChI=1S/C12H14O3/c1-2-15-12(14)10-7-8-5-3-4-6-9(8)11(10)13/h3-6,10-11,13H,2,7H2,1H3/t10-,11+/m1/s1.
What are the key properties of ethyl (1R,2R)-1-hydroxy-2,3-dihydro-1H-indene-2-carboxylate?
ethyl (1R,2R)-1-hydroxy-2,3-dihydro-1H-indene-2-carboxylate has a molecular weight of 206.24 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1R,2R)-1-hydroxy-2,3-dihydro-1H-indene-2-carboxylate is sourced from PubChem (CID 102322788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).