1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]-3-methylpyrazin-2-one;1-methoxy-4-methylbenzene

C24H30N2O5 — CID 143744892

IUPAC1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]-3-methylpyrazin-2-one;1-methoxy-4-methylbenzene
SMILESCOc1cc(-n2ccnc(C)c2=O)ccc1OCC(C)(C)O.COc1ccc(C)cc1
InChIInChI=1S/C16H20N2O4.C8H10O/c1-11-15(19)18(8-7-17-11)12-5-6-13(14(9-12)21-4)22-10-16(2,3)20;1-7-3-5-8(9-2)6-4-7/h5-9,20H,10H2,1-4H3;3-6H,1-2H3
InChIKeyKCFOHWWBSUVMLB-UHFFFAOYSA-N
MW426.51 g/mol
LogP3.70
Rot. Bonds6

About 1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]-3-methylpyrazin-2-one;1-methoxy-4-methylbenzene

1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]-3-methylpyrazin-2-one;1-methoxy-4-methylbenzene (PubChem CID 143744892) has the molecular formula C24H30N2O5 and a molecular weight of 426.51 g/mol. Its IUPAC name is 1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]-3-methylpyrazin-2-one;1-methoxy-4-methylbenzene.

Molecular Properties

Compound Name1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]-3-methylpyrazin-2-one;1-methoxy-4-methylbenzene
PubChem CID143744892
Molecular FormulaC24H30N2O5
Molecular Weight426.51 g/mol
Exact Mass426.22
IUPAC Name1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]-3-methylpyrazin-2-one;1-methoxy-4-methylbenzene
SMILESCOc1cc(-n2ccnc(C)c2=O)ccc1OCC(C)(C)O.COc1ccc(C)cc1
InChIInChI=1S/C16H20N2O4.C8H10O/c1-11-15(19)18(8-7-17-11)12-5-6-13(14(9-12)21-4)22-10-16(2,3)20;1-7-3-5-8(9-2)6-4-7/h5-9,20H,10H2,1-4H3;3-6H,1-2H3
InChIKeyKCFOHWWBSUVMLB-UHFFFAOYSA-N
XLogP3.70
TPSA82.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]-3-methylpyrazin-2-one;1-methoxy-4-methylbenzene with MolForge

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Related Compounds

1-chloro-4-methylbenzene;1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]-3-methylpyrazin-2-one
CID 143744929
4-(4-chlorophenyl)-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pyrimidin-2-one
CID 70644767
4-chloro-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pyridin-2-one
CID 58580294
4-[(4-chlorophenyl)methylamino]-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pyrimidin-2-one
CID 46926808
1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]-3-[4-(trifluoromethoxy)phenyl]sulfanylpyrazin-2-one
CID 58092387
1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]-4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pyridin-2-one
CID 46911203
4-[2-(4-chlorophenyl)ethenyl]-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pyrimidin-2-one
CID 67135622
1-(3,4-dimethoxyphenyl)-3-[(4-methylphenyl)methylsulfanyl]pyrazin-2-one
CID 18579418
3-[(3,4-dimethoxyphenyl)methylamino]-1-(4-methoxyphenyl)pyrazin-2-one
CID 18591886
1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]-4-[(E)-2-(4-iodophenyl)ethenyl]pyrimidin-2-one
CID 89034043
CID 88968291
CID 88968291
6-bromo-3-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]thieno[3,2-d]pyrimidin-4-one
CID 58858091

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]-3-methylpyrazin-2-one;1-methoxy-4-methylbenzene?
The IUPAC name of 1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]-3-methylpyrazin-2-one;1-methoxy-4-methylbenzene (CID 143744892) is 1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]-3-methylpyrazin-2-one;1-methoxy-4-methylbenzene.
What is the SMILES notation for 1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]-3-methylpyrazin-2-one;1-methoxy-4-methylbenzene?
The canonical SMILES for 1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]-3-methylpyrazin-2-one;1-methoxy-4-methylbenzene is COc1cc(-n2ccnc(C)c2=O)ccc1OCC(C)(C)O.COc1ccc(C)cc1.
What is the InChIKey of 1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]-3-methylpyrazin-2-one;1-methoxy-4-methylbenzene?
The InChIKey is KCFOHWWBSUVMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4.C8H10O/c1-11-15(19)18(8-7-17-11)12-5-6-13(14(9-12)21-4)22-10-16(2,3)20;1-7-3-5-8(9-2)6-4-7/h5-9,20H,10H2,1-4H3;3-6H,1-2H3.
What are the key properties of 1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]-3-methylpyrazin-2-one;1-methoxy-4-methylbenzene?
1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]-3-methylpyrazin-2-one;1-methoxy-4-methylbenzene has a molecular weight of 426.51 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]-3-methylpyrazin-2-one;1-methoxy-4-methylbenzene is sourced from PubChem (CID 143744892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).