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

C16H20O4 — CID 102297674

IUPACethyl (1R,2R)-1-(2-ethoxy-2-oxoethyl)-2,3-dihydro-1H-indene-2-carboxylate
SMILESCCOC(=O)C[C@H]1c2ccccc2C[C@H]1C(=O)OCC
InChIInChI=1S/C16H20O4/c1-3-19-15(17)10-13-12-8-6-5-7-11(12)9-14(13)16(18)20-4-2/h5-8,13-14H,3-4,9-10H2,1-2H3/t13-,14+/m0/s1
InChIKeyKZKARWXRIIJHES-UONOGXRCSA-N
MW276.33 g/mol
LogP2.46
Rot. Bonds5

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

ethyl (1R,2R)-1-(2-ethoxy-2-oxoethyl)-2,3-dihydro-1H-indene-2-carboxylate (PubChem CID 102297674) has the molecular formula C16H20O4 and a molecular weight of 276.33 g/mol. Its IUPAC name is ethyl (1R,2R)-1-(2-ethoxy-2-oxoethyl)-2,3-dihydro-1H-indene-2-carboxylate.

Molecular Properties

Compound Nameethyl (1R,2R)-1-(2-ethoxy-2-oxoethyl)-2,3-dihydro-1H-indene-2-carboxylate
PubChem CID102297674
Molecular FormulaC16H20O4
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC Nameethyl (1R,2R)-1-(2-ethoxy-2-oxoethyl)-2,3-dihydro-1H-indene-2-carboxylate
SMILESCCOC(=O)C[C@H]1c2ccccc2C[C@H]1C(=O)OCC
InChIInChI=1S/C16H20O4/c1-3-19-15(17)10-13-12-8-6-5-7-11(12)9-14(13)16(18)20-4-2/h5-8,13-14H,3-4,9-10H2,1-2H3/t13-,14+/m0/s1
InChIKeyKZKARWXRIIJHES-UONOGXRCSA-N
XLogP2.46
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl (1R,2R)-1-(2-ethoxy-2-oxoethyl)-2,3-dihydro-1H-indene-2-carboxylate with MolForge

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Related Compounds

Diethyl 2,4-diacetyl-3-phenylpentanedioate
CID 297900
9,9-Fluorenedipropionic acid, diethyl ester
CID 33767
Diethyl 2,4-diphenylcyclobutane-1,3-dicarboxylate
CID 1142028
methyl 9H-fluorene-9-carboxylate
CID 232396
Methyl 2,3-dihydro-1H-indene-1-carboxylate
CID 3839612
Dimethyl 3-phenylglutarate
CID 4173488
2-(carboxymethyl)-2,3-dihydro-1H-indene-1-carboxylic acid
CID 273866
1-Indancarboxylic acid, 5-cyclohexyl-, ethyl ester, (+-)-
CID 119870
methyl 1-methyl-2,3-dihydro-1H-indene-2-carboxylate
CID 14381314
methyl (1S,3S,4R)-2,2,3-trimethyl-4-phenylcyclopentane-1-carboxylate
CID 24982300
methyl (1R,3S,4R)-2,2,3-trimethyl-4-phenylcyclopentane-1-carboxylate
CID 24982154
Ethyl 9H-fluorene-9-carboxylate
CID 596964

Frequently Asked Questions

What is the IUPAC name of ethyl (1R,2R)-1-(2-ethoxy-2-oxoethyl)-2,3-dihydro-1H-indene-2-carboxylate?
The IUPAC name of ethyl (1R,2R)-1-(2-ethoxy-2-oxoethyl)-2,3-dihydro-1H-indene-2-carboxylate (CID 102297674) is ethyl (1R,2R)-1-(2-ethoxy-2-oxoethyl)-2,3-dihydro-1H-indene-2-carboxylate.
What is the SMILES notation for ethyl (1R,2R)-1-(2-ethoxy-2-oxoethyl)-2,3-dihydro-1H-indene-2-carboxylate?
The canonical SMILES for ethyl (1R,2R)-1-(2-ethoxy-2-oxoethyl)-2,3-dihydro-1H-indene-2-carboxylate is CCOC(=O)C[C@H]1c2ccccc2C[C@H]1C(=O)OCC.
What is the InChIKey of ethyl (1R,2R)-1-(2-ethoxy-2-oxoethyl)-2,3-dihydro-1H-indene-2-carboxylate?
The InChIKey is KZKARWXRIIJHES-UONOGXRCSA-N. The full InChI is InChI=1S/C16H20O4/c1-3-19-15(17)10-13-12-8-6-5-7-11(12)9-14(13)16(18)20-4-2/h5-8,13-14H,3-4,9-10H2,1-2H3/t13-,14+/m0/s1.
What are the key properties of ethyl (1R,2R)-1-(2-ethoxy-2-oxoethyl)-2,3-dihydro-1H-indene-2-carboxylate?
ethyl (1R,2R)-1-(2-ethoxy-2-oxoethyl)-2,3-dihydro-1H-indene-2-carboxylate has a molecular weight of 276.33 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1R,2R)-1-(2-ethoxy-2-oxoethyl)-2,3-dihydro-1H-indene-2-carboxylate is sourced from PubChem (CID 102297674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).