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

C15H12N2O3 — CID 175090526

IUPAC2-[(4-phenyl-1,2,5-oxadiazol-3-yl)methoxy]phenol
SMILESOc1ccccc1OCc1nonc1-c1ccccc1
InChIInChI=1S/C15H12N2O3/c18-13-8-4-5-9-14(13)19-10-12-15(17-20-16-12)11-6-2-1-3-7-11/h1-9,18H,10H2
InChIKeyFVVRVRSEUKJXRD-UHFFFAOYSA-N
MW268.27 g/mol
LogP3.02
Rot. Bonds4

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

2-[(4-phenyl-1,2,5-oxadiazol-3-yl)methoxy]phenol (PubChem CID 175090526) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-[(4-phenyl-1,2,5-oxadiazol-3-yl)methoxy]phenol.

Molecular Properties

Compound Name2-[(4-phenyl-1,2,5-oxadiazol-3-yl)methoxy]phenol
PubChem CID175090526
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name2-[(4-phenyl-1,2,5-oxadiazol-3-yl)methoxy]phenol
SMILESOc1ccccc1OCc1nonc1-c1ccccc1
InChIInChI=1S/C15H12N2O3/c18-13-8-4-5-9-14(13)19-10-12-15(17-20-16-12)11-6-2-1-3-7-11/h1-9,18H,10H2
InChIKeyFVVRVRSEUKJXRD-UHFFFAOYSA-N
XLogP3.02
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-phenyl-1,2,5-oxadiazol-3-yl)methoxy]phenol?
The IUPAC name of 2-[(4-phenyl-1,2,5-oxadiazol-3-yl)methoxy]phenol (CID 175090526) is 2-[(4-phenyl-1,2,5-oxadiazol-3-yl)methoxy]phenol.
What is the SMILES notation for 2-[(4-phenyl-1,2,5-oxadiazol-3-yl)methoxy]phenol?
The canonical SMILES for 2-[(4-phenyl-1,2,5-oxadiazol-3-yl)methoxy]phenol is Oc1ccccc1OCc1nonc1-c1ccccc1.
What is the InChIKey of 2-[(4-phenyl-1,2,5-oxadiazol-3-yl)methoxy]phenol?
The InChIKey is FVVRVRSEUKJXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c18-13-8-4-5-9-14(13)19-10-12-15(17-20-16-12)11-6-2-1-3-7-11/h1-9,18H,10H2.
What are the key properties of 2-[(4-phenyl-1,2,5-oxadiazol-3-yl)methoxy]phenol?
2-[(4-phenyl-1,2,5-oxadiazol-3-yl)methoxy]phenol has a molecular weight of 268.27 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-phenyl-1,2,5-oxadiazol-3-yl)methoxy]phenol is sourced from PubChem (CID 175090526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).