1-(2-methoxy-5-phenylphenyl)propan-2-yl pyrazine-2-carboxylate

C21H20N2O3 — CID 139594559

IUPAC1-(2-methoxy-5-phenylphenyl)propan-2-yl pyrazine-2-carboxylate
SMILESCOc1ccc(-c2ccccc2)cc1CC(C)OC(=O)c1cnccn1
InChIInChI=1S/C21H20N2O3/c1-15(26-21(24)19-14-22-10-11-23-19)12-18-13-17(8-9-20(18)25-2)16-6-4-3-5-7-16/h3-11,13-15H,12H2,1-2H3
InChIKeyCLMDYPSCRNDGRG-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.94
Rot. Bonds6

About 1-(2-methoxy-5-phenylphenyl)propan-2-yl pyrazine-2-carboxylate

1-(2-methoxy-5-phenylphenyl)propan-2-yl pyrazine-2-carboxylate (PubChem CID 139594559) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is 1-(2-methoxy-5-phenylphenyl)propan-2-yl pyrazine-2-carboxylate.

Molecular Properties

Compound Name1-(2-methoxy-5-phenylphenyl)propan-2-yl pyrazine-2-carboxylate
PubChem CID139594559
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name1-(2-methoxy-5-phenylphenyl)propan-2-yl pyrazine-2-carboxylate
SMILESCOc1ccc(-c2ccccc2)cc1CC(C)OC(=O)c1cnccn1
InChIInChI=1S/C21H20N2O3/c1-15(26-21(24)19-14-22-10-11-23-19)12-18-13-17(8-9-20(18)25-2)16-6-4-3-5-7-16/h3-11,13-15H,12H2,1-2H3
InChIKeyCLMDYPSCRNDGRG-UHFFFAOYSA-N
XLogP3.94
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Cyclohexyl 5-[(1,3-dihydro-1-hydroxy-2,1-benzoxaborol-6-yl)oxy]-2-pyrazinecarboxylate
CID 122178922
(2,3,6-Trimethylphenyl) 5-methylpyrazine-2-carboxylate
CID 2446375
(4-Phenylphenyl) 5-methylpyrazine-2-carboxylate
CID 7926506
2-{4-[(4-Methylbenzoyl)oxy]phenyl}-2-oxoethyl 2-pyrazinecarboxylate
CID 3832481
Pyrazinecarboxylic acid, 4-methylphenyl ester
CID 122713
Pyrazinecarboxylic acid, 4-(1,1-dimethylethyl)phenyl ester
CID 122714
4-(Phenoxycarbonyl)benzyl 2-pyrazinecarboxylate
CID 976280
[2-(4-Benzoyloxyphenyl)-2-oxoethyl] pyrazine-2-carboxylate
CID 1332468
(5-Acetyl-2-methoxyphenyl)methyl 5-methylpyrazine-2-carboxylate
CID 2534667
1-[3-(4-Methoxyphenyl)-4-(pyrazin-2-ylmethoxy)phenyl]ethanone
CID 145989906
[2-(2-Methoxyphenyl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 8634442
[1-(4-Ethoxyphenyl)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate
CID 24687756

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-phenylphenyl)propan-2-yl pyrazine-2-carboxylate?
The IUPAC name of 1-(2-methoxy-5-phenylphenyl)propan-2-yl pyrazine-2-carboxylate (CID 139594559) is 1-(2-methoxy-5-phenylphenyl)propan-2-yl pyrazine-2-carboxylate.
What is the SMILES notation for 1-(2-methoxy-5-phenylphenyl)propan-2-yl pyrazine-2-carboxylate?
The canonical SMILES for 1-(2-methoxy-5-phenylphenyl)propan-2-yl pyrazine-2-carboxylate is COc1ccc(-c2ccccc2)cc1CC(C)OC(=O)c1cnccn1.
What is the InChIKey of 1-(2-methoxy-5-phenylphenyl)propan-2-yl pyrazine-2-carboxylate?
The InChIKey is CLMDYPSCRNDGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-15(26-21(24)19-14-22-10-11-23-19)12-18-13-17(8-9-20(18)25-2)16-6-4-3-5-7-16/h3-11,13-15H,12H2,1-2H3.
What are the key properties of 1-(2-methoxy-5-phenylphenyl)propan-2-yl pyrazine-2-carboxylate?
1-(2-methoxy-5-phenylphenyl)propan-2-yl pyrazine-2-carboxylate has a molecular weight of 348.40 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-phenylphenyl)propan-2-yl pyrazine-2-carboxylate is sourced from PubChem (CID 139594559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).