[(1R)-2-oxo-1,2-diphenylethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate

C24H20O6 — CID 9066974

IUPAC[(1R)-2-oxo-1,2-diphenylethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate
SMILESCOc1cc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccccc2)cc2c1OCCO2
InChIInChI=1S/C24H20O6/c1-27-19-14-18(15-20-23(19)29-13-12-28-20)24(26)30-22(17-10-6-3-7-11-17)21(25)16-8-4-2-5-9-16/h2-11,14-15,22H,12-13H2,1H3/t22-/m1/s1
InChIKeyCIDKVWUHWAJLAE-JOCHJYFZSA-N
MW404.42 g/mol
LogP4.25
Rot. Bonds6

About [(1R)-2-oxo-1,2-diphenylethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate

[(1R)-2-oxo-1,2-diphenylethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate (PubChem CID 9066974) has the molecular formula C24H20O6 and a molecular weight of 404.42 g/mol. Its IUPAC name is [(1R)-2-oxo-1,2-diphenylethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate.

Molecular Properties

Compound Name[(1R)-2-oxo-1,2-diphenylethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate
PubChem CID9066974
Molecular FormulaC24H20O6
Molecular Weight404.42 g/mol
Exact Mass404.13
IUPAC Name[(1R)-2-oxo-1,2-diphenylethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate
SMILESCOc1cc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccccc2)cc2c1OCCO2
InChIInChI=1S/C24H20O6/c1-27-19-14-18(15-20-23(19)29-13-12-28-20)24(26)30-22(17-10-6-3-7-11-17)21(25)16-8-4-2-5-9-16/h2-11,14-15,22H,12-13H2,1H3/t22-/m1/s1
InChIKeyCIDKVWUHWAJLAE-JOCHJYFZSA-N
XLogP4.25
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(1R)-2-oxo-1,2-diphenylethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate
CID 7736777
(2-oxo-1,2-diphenylethyl) 3,4-dimethoxybenzoate
CID 19132863
(2-oxo-1,2-diphenylethyl) 3,5-dimethoxybenzoate
CID 23855920
3-[(5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carbonyl)amino]-2-phenylpropanoic acid
CID 119254930
[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate
CID 7646335
5-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 27787649
[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate
CID 7645917
[(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate
CID 7645911
[(1S)-2-oxo-1,2-diphenylethyl] 4-[(2-methoxyphenoxy)methyl]benzoate
CID 126186245
[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate
CID 9062392
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate
CID 7646064
[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate
CID 9067166

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-oxo-1,2-diphenylethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate?
The IUPAC name of [(1R)-2-oxo-1,2-diphenylethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate (CID 9066974) is [(1R)-2-oxo-1,2-diphenylethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate.
What is the SMILES notation for [(1R)-2-oxo-1,2-diphenylethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate?
The canonical SMILES for [(1R)-2-oxo-1,2-diphenylethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate is COc1cc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccccc2)cc2c1OCCO2.
What is the InChIKey of [(1R)-2-oxo-1,2-diphenylethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate?
The InChIKey is CIDKVWUHWAJLAE-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H20O6/c1-27-19-14-18(15-20-23(19)29-13-12-28-20)24(26)30-22(17-10-6-3-7-11-17)21(25)16-8-4-2-5-9-16/h2-11,14-15,22H,12-13H2,1H3/t22-/m1/s1.
What are the key properties of [(1R)-2-oxo-1,2-diphenylethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate?
[(1R)-2-oxo-1,2-diphenylethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate has a molecular weight of 404.42 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-oxo-1,2-diphenylethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate is sourced from PubChem (CID 9066974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).