4-methoxyphenol;2-methyl-1,3,4-oxadiazole

C10H12N2O3 — CID 158610770

IUPAC4-methoxyphenol;2-methyl-1,3,4-oxadiazole
SMILESCOc1ccc(O)cc1.Cc1nnco1
InChIInChI=1S/C7H8O2.C3H4N2O/c1-9-7-4-2-6(8)3-5-7;1-3-5-4-2-6-3/h2-5,8H,1H3;2H,1H3
InChIKeyHWUQTVWIBDOUJQ-UHFFFAOYSA-N
MW208.22 g/mol
LogP1.78
Rot. Bonds1

About 4-methoxyphenol;2-methyl-1,3,4-oxadiazole

4-methoxyphenol;2-methyl-1,3,4-oxadiazole (PubChem CID 158610770) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 4-methoxyphenol;2-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name4-methoxyphenol;2-methyl-1,3,4-oxadiazole
PubChem CID158610770
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name4-methoxyphenol;2-methyl-1,3,4-oxadiazole
SMILESCOc1ccc(O)cc1.Cc1nnco1
InChIInChI=1S/C7H8O2.C3H4N2O/c1-9-7-4-2-6(8)3-5-7;1-3-5-4-2-6-3/h2-5,8H,1H3;2H,1H3
InChIKeyHWUQTVWIBDOUJQ-UHFFFAOYSA-N
XLogP1.78
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-methoxyphenol;2-methyl-1,3,4-oxadiazole?
The IUPAC name of 4-methoxyphenol;2-methyl-1,3,4-oxadiazole (CID 158610770) is 4-methoxyphenol;2-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 4-methoxyphenol;2-methyl-1,3,4-oxadiazole?
The canonical SMILES for 4-methoxyphenol;2-methyl-1,3,4-oxadiazole is COc1ccc(O)cc1.Cc1nnco1.
What is the InChIKey of 4-methoxyphenol;2-methyl-1,3,4-oxadiazole?
The InChIKey is HWUQTVWIBDOUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2.C3H4N2O/c1-9-7-4-2-6(8)3-5-7;1-3-5-4-2-6-3/h2-5,8H,1H3;2H,1H3.
What are the key properties of 4-methoxyphenol;2-methyl-1,3,4-oxadiazole?
4-methoxyphenol;2-methyl-1,3,4-oxadiazole has a molecular weight of 208.22 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxyphenol;2-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 158610770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).