ethyl [(2S,6S)-6-methyl-5-oxo-6-(4-phenylphenyl)-2H-pyran-2-yl] carbonate

C21H20O5 — CID 95560347

IUPACethyl [(2S,6S)-6-methyl-5-oxo-6-(4-phenylphenyl)-2H-pyran-2-yl] carbonate
SMILESCCOC(=O)O[C@H]1C=CC(=O)[C@](C)(c2ccc(-c3ccccc3)cc2)O1
InChIInChI=1S/C21H20O5/c1-3-24-20(23)25-19-14-13-18(22)21(2,26-19)17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-14,19H,3H2,1-2H3/t19-,21+/m1/s1
InChIKeyZFKFZRFKOJXOTQ-CTNGQTDRSA-N
MW352.39 g/mol
LogP4.22
Rot. Bonds4

About ethyl [(2S,6S)-6-methyl-5-oxo-6-(4-phenylphenyl)-2H-pyran-2-yl] carbonate

ethyl [(2S,6S)-6-methyl-5-oxo-6-(4-phenylphenyl)-2H-pyran-2-yl] carbonate (PubChem CID 95560347) has the molecular formula C21H20O5 and a molecular weight of 352.39 g/mol. Its IUPAC name is ethyl [(2S,6S)-6-methyl-5-oxo-6-(4-phenylphenyl)-2H-pyran-2-yl] carbonate.

Molecular Properties

Compound Nameethyl [(2S,6S)-6-methyl-5-oxo-6-(4-phenylphenyl)-2H-pyran-2-yl] carbonate
PubChem CID95560347
Molecular FormulaC21H20O5
Molecular Weight352.39 g/mol
Exact Mass352.13
IUPAC Nameethyl [(2S,6S)-6-methyl-5-oxo-6-(4-phenylphenyl)-2H-pyran-2-yl] carbonate
SMILESCCOC(=O)O[C@H]1C=CC(=O)[C@](C)(c2ccc(-c3ccccc3)cc2)O1
InChIInChI=1S/C21H20O5/c1-3-24-20(23)25-19-14-13-18(22)21(2,26-19)17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-14,19H,3H2,1-2H3/t19-,21+/m1/s1
InChIKeyZFKFZRFKOJXOTQ-CTNGQTDRSA-N
XLogP4.22
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S,6S)-6-methyl-5-oxo-6-(4-phenylphenyl)-2H-pyran-2-yl] N,N-dimethylcarbamate
CID 92965973
[6-(hydroxymethyl)-5-oxo-6-phenyl-2H-pyran-2-yl] acetate
CID 86215227
ethyl acetate;1-methyl-4-phenylbenzene
CID 54016895
[(2S)-6,6-dimethyl-5-oxo-2H-pyran-2-yl] 2-methylpropanoate
CID 166439758
ethyl 2-(3-methyl-6-oxo-3,5-diphenyl-1,2,4,5-tetrazinan-1-yl)acetate
CID 134917483
1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate
CID 174703430
ethyl 2-(4-phenylphenoxy)propanoate
CID 10956576
[6-(hydroxymethyl)-5-oxo-6-phenyl-2H-pyran-2-yl] 4-nitrobenzoate
CID 101213168
ethyl 2-(3,4-diethyl-5-methyl-5-phenyl-2H-furan-2-yl)acetate
CID 15864406
ethyl [4-oxo-3-(4-phenylphenoxy)-4a,5,6,7,8,8a-hexahydrochromen-7-yl] carbonate
CID 78237666
ethyl 2,2-dimethyl-4-oxo-6-phenyl-3H-pyran-5-carboxylate
CID 12525627
ethyl (2R)-2-hydroxy-2-(4-phenylphenyl)acetate
CID 885195

Frequently Asked Questions

What is the IUPAC name of ethyl [(2S,6S)-6-methyl-5-oxo-6-(4-phenylphenyl)-2H-pyran-2-yl] carbonate?
The IUPAC name of ethyl [(2S,6S)-6-methyl-5-oxo-6-(4-phenylphenyl)-2H-pyran-2-yl] carbonate (CID 95560347) is ethyl [(2S,6S)-6-methyl-5-oxo-6-(4-phenylphenyl)-2H-pyran-2-yl] carbonate.
What is the SMILES notation for ethyl [(2S,6S)-6-methyl-5-oxo-6-(4-phenylphenyl)-2H-pyran-2-yl] carbonate?
The canonical SMILES for ethyl [(2S,6S)-6-methyl-5-oxo-6-(4-phenylphenyl)-2H-pyran-2-yl] carbonate is CCOC(=O)O[C@H]1C=CC(=O)[C@](C)(c2ccc(-c3ccccc3)cc2)O1.
What is the InChIKey of ethyl [(2S,6S)-6-methyl-5-oxo-6-(4-phenylphenyl)-2H-pyran-2-yl] carbonate?
The InChIKey is ZFKFZRFKOJXOTQ-CTNGQTDRSA-N. The full InChI is InChI=1S/C21H20O5/c1-3-24-20(23)25-19-14-13-18(22)21(2,26-19)17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-14,19H,3H2,1-2H3/t19-,21+/m1/s1.
What are the key properties of ethyl [(2S,6S)-6-methyl-5-oxo-6-(4-phenylphenyl)-2H-pyran-2-yl] carbonate?
ethyl [(2S,6S)-6-methyl-5-oxo-6-(4-phenylphenyl)-2H-pyran-2-yl] carbonate has a molecular weight of 352.39 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl [(2S,6S)-6-methyl-5-oxo-6-(4-phenylphenyl)-2H-pyran-2-yl] carbonate is sourced from PubChem (CID 95560347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).