2-methoxy-6-[5-(2,4,6-trimethylphenyl)-1,3,4-oxadiazol-2-yl]phenol

C18H18N2O3 — CID 142771787

IUPAC2-methoxy-6-[5-(2,4,6-trimethylphenyl)-1,3,4-oxadiazol-2-yl]phenol
SMILESCOc1cccc(-c2nnc(-c3c(C)cc(C)cc3C)o2)c1O
InChIInChI=1S/C18H18N2O3/c1-10-8-11(2)15(12(3)9-10)18-20-19-17(23-18)13-6-5-7-14(22-4)16(13)21/h5-9,21H,1-4H3
InChIKeyWJGKHRQGSWSPLU-UHFFFAOYSA-N
MW310.35 g/mol
LogP4.04
Rot. Bonds3

About 2-methoxy-6-[5-(2,4,6-trimethylphenyl)-1,3,4-oxadiazol-2-yl]phenol

2-methoxy-6-[5-(2,4,6-trimethylphenyl)-1,3,4-oxadiazol-2-yl]phenol (PubChem CID 142771787) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-methoxy-6-[5-(2,4,6-trimethylphenyl)-1,3,4-oxadiazol-2-yl]phenol.

Molecular Properties

Compound Name2-methoxy-6-[5-(2,4,6-trimethylphenyl)-1,3,4-oxadiazol-2-yl]phenol
PubChem CID142771787
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name2-methoxy-6-[5-(2,4,6-trimethylphenyl)-1,3,4-oxadiazol-2-yl]phenol
SMILESCOc1cccc(-c2nnc(-c3c(C)cc(C)cc3C)o2)c1O
InChIInChI=1S/C18H18N2O3/c1-10-8-11(2)15(12(3)9-10)18-20-19-17(23-18)13-6-5-7-14(22-4)16(13)21/h5-9,21H,1-4H3
InChIKeyWJGKHRQGSWSPLU-UHFFFAOYSA-N
XLogP4.04
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[5-(2,4,6-trimethylphenyl)-1,3,4-oxadiazol-2-yl]phenol?
The IUPAC name of 2-methoxy-6-[5-(2,4,6-trimethylphenyl)-1,3,4-oxadiazol-2-yl]phenol (CID 142771787) is 2-methoxy-6-[5-(2,4,6-trimethylphenyl)-1,3,4-oxadiazol-2-yl]phenol.
What is the SMILES notation for 2-methoxy-6-[5-(2,4,6-trimethylphenyl)-1,3,4-oxadiazol-2-yl]phenol?
The canonical SMILES for 2-methoxy-6-[5-(2,4,6-trimethylphenyl)-1,3,4-oxadiazol-2-yl]phenol is COc1cccc(-c2nnc(-c3c(C)cc(C)cc3C)o2)c1O.
What is the InChIKey of 2-methoxy-6-[5-(2,4,6-trimethylphenyl)-1,3,4-oxadiazol-2-yl]phenol?
The InChIKey is WJGKHRQGSWSPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-10-8-11(2)15(12(3)9-10)18-20-19-17(23-18)13-6-5-7-14(22-4)16(13)21/h5-9,21H,1-4H3.
What are the key properties of 2-methoxy-6-[5-(2,4,6-trimethylphenyl)-1,3,4-oxadiazol-2-yl]phenol?
2-methoxy-6-[5-(2,4,6-trimethylphenyl)-1,3,4-oxadiazol-2-yl]phenol has a molecular weight of 310.35 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[5-(2,4,6-trimethylphenyl)-1,3,4-oxadiazol-2-yl]phenol is sourced from PubChem (CID 142771787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).