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

C18H18N2O6 — CID 11164200

IUPAC2-methoxy-5-[4-(3,4,5-trimethoxyphenyl)-1,2,5-oxadiazol-3-yl]phenol
SMILESCOc1ccc(-c2nonc2-c2cc(OC)c(OC)c(OC)c2)cc1O
InChIInChI=1S/C18H18N2O6/c1-22-13-6-5-10(7-12(13)21)16-17(20-26-19-16)11-8-14(23-2)18(25-4)15(9-11)24-3/h5-9,21H,1-4H3
InChIKeyQRDXRGCBVKJYSX-UHFFFAOYSA-N
MW358.35 g/mol
LogP3.14
Rot. Bonds6

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

2-methoxy-5-[4-(3,4,5-trimethoxyphenyl)-1,2,5-oxadiazol-3-yl]phenol (PubChem CID 11164200) has the molecular formula C18H18N2O6 and a molecular weight of 358.35 g/mol. Its IUPAC name is 2-methoxy-5-[4-(3,4,5-trimethoxyphenyl)-1,2,5-oxadiazol-3-yl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[4-(3,4,5-trimethoxyphenyl)-1,2,5-oxadiazol-3-yl]phenol
PubChem CID11164200
Molecular FormulaC18H18N2O6
Molecular Weight358.35 g/mol
Exact Mass358.12
IUPAC Name2-methoxy-5-[4-(3,4,5-trimethoxyphenyl)-1,2,5-oxadiazol-3-yl]phenol
SMILESCOc1ccc(-c2nonc2-c2cc(OC)c(OC)c(OC)c2)cc1O
InChIInChI=1S/C18H18N2O6/c1-22-13-6-5-10(7-12(13)21)16-17(20-26-19-16)11-8-14(23-2)18(25-4)15(9-11)24-3/h5-9,21H,1-4H3
InChIKeyQRDXRGCBVKJYSX-UHFFFAOYSA-N
XLogP3.14
TPSA96.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[4-(3,4,5-trimethoxyphenyl)-1,2,5-oxadiazol-3-yl]phenol?
The IUPAC name of 2-methoxy-5-[4-(3,4,5-trimethoxyphenyl)-1,2,5-oxadiazol-3-yl]phenol (CID 11164200) is 2-methoxy-5-[4-(3,4,5-trimethoxyphenyl)-1,2,5-oxadiazol-3-yl]phenol.
What is the SMILES notation for 2-methoxy-5-[4-(3,4,5-trimethoxyphenyl)-1,2,5-oxadiazol-3-yl]phenol?
The canonical SMILES for 2-methoxy-5-[4-(3,4,5-trimethoxyphenyl)-1,2,5-oxadiazol-3-yl]phenol is COc1ccc(-c2nonc2-c2cc(OC)c(OC)c(OC)c2)cc1O.
What is the InChIKey of 2-methoxy-5-[4-(3,4,5-trimethoxyphenyl)-1,2,5-oxadiazol-3-yl]phenol?
The InChIKey is QRDXRGCBVKJYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O6/c1-22-13-6-5-10(7-12(13)21)16-17(20-26-19-16)11-8-14(23-2)18(25-4)15(9-11)24-3/h5-9,21H,1-4H3.
What are the key properties of 2-methoxy-5-[4-(3,4,5-trimethoxyphenyl)-1,2,5-oxadiazol-3-yl]phenol?
2-methoxy-5-[4-(3,4,5-trimethoxyphenyl)-1,2,5-oxadiazol-3-yl]phenol has a molecular weight of 358.35 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[4-(3,4,5-trimethoxyphenyl)-1,2,5-oxadiazol-3-yl]phenol is sourced from PubChem (CID 11164200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).