[1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate

C22H20O4 — CID 46610021

IUPAC[1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
SMILESCC(OC(=O)C1=Cc2ccccc2OC1)C(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C22H20O4/c1-14(21(23)18-10-9-15-6-4-7-16(15)11-18)26-22(24)19-12-17-5-2-3-8-20(17)25-13-19/h2-3,5,8-12,14H,4,6-7,13H2,1H3
InChIKeyADLDVFLXZHCEKG-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.77
Rot. Bonds4

About [1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate

[1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate (PubChem CID 46610021) has the molecular formula C22H20O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is [1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate.

Molecular Properties

Compound Name[1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
PubChem CID46610021
Molecular FormulaC22H20O4
Molecular Weight348.40 g/mol
Exact Mass348.14
IUPAC Name[1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
SMILESCC(OC(=O)C1=Cc2ccccc2OC1)C(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C22H20O4/c1-14(21(23)18-10-9-15-6-4-7-16(15)11-18)26-22(24)19-12-17-5-2-3-8-20(17)25-13-19/h2-3,5,8-12,14H,4,6-7,13H2,1H3
InChIKeyADLDVFLXZHCEKG-UHFFFAOYSA-N
XLogP3.77
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
CID 8744266
[(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
CID 8746503
[(2S)-1-amino-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
CID 8745641
[(2S)-1-[4-(2,2-dimethylpropanoylamino)phenyl]-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
CID 8746964
[(2S)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
CID 8744212
[(2S)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2-bromobenzoate
CID 7866252
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
CID 8745614
[(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 1-benzothiophene-2-carboxylate
CID 7490560
[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
CID 8745271
[(2S)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2,3,6-trichlorobenzoate
CID 7170377
[(2S)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate
CID 7737773
[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl] 2H-chromene-3-carboxylate
CID 7441797

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate?
The IUPAC name of [1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate (CID 46610021) is [1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate.
What is the SMILES notation for [1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate?
The canonical SMILES for [1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate is CC(OC(=O)C1=Cc2ccccc2OC1)C(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of [1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate?
The InChIKey is ADLDVFLXZHCEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O4/c1-14(21(23)18-10-9-15-6-4-7-16(15)11-18)26-22(24)19-12-17-5-2-3-8-20(17)25-13-19/h2-3,5,8-12,14H,4,6-7,13H2,1H3.
What are the key properties of [1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate?
[1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate has a molecular weight of 348.40 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate is sourced from PubChem (CID 46610021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).