methyl (1R,2R)-1-phenacyl-2,3-dihydro-1H-indene-2-carboxylate

C19H18O3 — CID 102418918

IUPACmethyl (1R,2R)-1-phenacyl-2,3-dihydro-1H-indene-2-carboxylate
SMILESCOC(=O)[C@@H]1Cc2ccccc2[C@@H]1CC(=O)c1ccccc1
InChIInChI=1S/C19H18O3/c1-22-19(21)17-11-14-9-5-6-10-15(14)16(17)12-18(20)13-7-3-2-4-8-13/h2-10,16-17H,11-12H2,1H3/t16-,17+/m0/s1
InChIKeyNTEKUZWMFHEZOJ-DLBZAZTESA-N
MW294.35 g/mol
LogP3.39
Rot. Bonds4

About methyl (1R,2R)-1-phenacyl-2,3-dihydro-1H-indene-2-carboxylate

methyl (1R,2R)-1-phenacyl-2,3-dihydro-1H-indene-2-carboxylate (PubChem CID 102418918) has the molecular formula C19H18O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is methyl (1R,2R)-1-phenacyl-2,3-dihydro-1H-indene-2-carboxylate.

Molecular Properties

Compound Namemethyl (1R,2R)-1-phenacyl-2,3-dihydro-1H-indene-2-carboxylate
PubChem CID102418918
Molecular FormulaC19H18O3
Molecular Weight294.35 g/mol
Exact Mass294.13
IUPAC Namemethyl (1R,2R)-1-phenacyl-2,3-dihydro-1H-indene-2-carboxylate
SMILESCOC(=O)[C@@H]1Cc2ccccc2[C@@H]1CC(=O)c1ccccc1
InChIInChI=1S/C19H18O3/c1-22-19(21)17-11-14-9-5-6-10-15(14)16(17)12-18(20)13-7-3-2-4-8-13/h2-10,16-17H,11-12H2,1H3/t16-,17+/m0/s1
InChIKeyNTEKUZWMFHEZOJ-DLBZAZTESA-N
XLogP3.39
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1S,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-1-phenylethanone
CID 101099857
dimethyl (1S,2R,3R)-1-methoxy-1,2,3,4-tetrahydronaphthalene-2,3-dicarboxylate
CID 13171844
methyl (7S)-bicyclo[4.2.0]octa-1,3,5-triene-7-carboxylate
CID 124511173
methyl (2S,3S)-3-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 101261612
[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]-phenylmethanone
CID 15420517
methyl (1R,6S)-6-benzoylcyclohex-3-ene-1-carboxylate
CID 102464913
methyl (1R,2R)-2-phenyl-2,3-dihydro-1H-indene-1-carboxylate
CID 101211176
dimethyl (5S,6S)-2-benzyl-4,5,6,7-tetrahydroisoindole-5,6-dicarboxylate
CID 11782382
methyl 2-oxo-2-[(1S,2S)-1-(2-oxo-1-phenylethenyl)-2,3-dihydro-1H-inden-2-yl]acetate
CID 11045424
dimethyl (9S,10S)-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-9,10-dicarboxylate
CID 134853900
methyl tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylate
CID 83985069
ethyl (1R,2R)-1-hydroxy-2,3-dihydro-1H-indene-2-carboxylate
CID 102322788

Frequently Asked Questions

What is the IUPAC name of methyl (1R,2R)-1-phenacyl-2,3-dihydro-1H-indene-2-carboxylate?
The IUPAC name of methyl (1R,2R)-1-phenacyl-2,3-dihydro-1H-indene-2-carboxylate (CID 102418918) is methyl (1R,2R)-1-phenacyl-2,3-dihydro-1H-indene-2-carboxylate.
What is the SMILES notation for methyl (1R,2R)-1-phenacyl-2,3-dihydro-1H-indene-2-carboxylate?
The canonical SMILES for methyl (1R,2R)-1-phenacyl-2,3-dihydro-1H-indene-2-carboxylate is COC(=O)[C@@H]1Cc2ccccc2[C@@H]1CC(=O)c1ccccc1.
What is the InChIKey of methyl (1R,2R)-1-phenacyl-2,3-dihydro-1H-indene-2-carboxylate?
The InChIKey is NTEKUZWMFHEZOJ-DLBZAZTESA-N. The full InChI is InChI=1S/C19H18O3/c1-22-19(21)17-11-14-9-5-6-10-15(14)16(17)12-18(20)13-7-3-2-4-8-13/h2-10,16-17H,11-12H2,1H3/t16-,17+/m0/s1.
What are the key properties of methyl (1R,2R)-1-phenacyl-2,3-dihydro-1H-indene-2-carboxylate?
methyl (1R,2R)-1-phenacyl-2,3-dihydro-1H-indene-2-carboxylate has a molecular weight of 294.35 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,2R)-1-phenacyl-2,3-dihydro-1H-indene-2-carboxylate is sourced from PubChem (CID 102418918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).