bis(2-(1,3-benzoxazol-2-yl)phenol);ytterbium

C26H18N2O4Yb — CID 157356181

IUPACbis(2-(1,3-benzoxazol-2-yl)phenol);ytterbium
SMILESOc1ccccc1-c1nc2ccccc2o1.Oc1ccccc1-c1nc2ccccc2o1.[Yb]
InChIInChI=1S/2C13H9NO2.Yb/c2*15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13;/h2*1-8,15H;
InChIKeyCGUXPTUGUPPQKH-UHFFFAOYSA-N
MW595.48 g/mol
LogP6.40
Rot. Bonds2

About bis(2-(1,3-benzoxazol-2-yl)phenol);ytterbium

bis(2-(1,3-benzoxazol-2-yl)phenol);ytterbium (PubChem CID 157356181) has the molecular formula C26H18N2O4Yb and a molecular weight of 595.48 g/mol. Its IUPAC name is bis(2-(1,3-benzoxazol-2-yl)phenol);ytterbium.

Molecular Properties

Compound Namebis(2-(1,3-benzoxazol-2-yl)phenol);ytterbium
PubChem CID157356181
Molecular FormulaC26H18N2O4Yb
Molecular Weight595.48 g/mol
Exact Mass596.07
IUPAC Namebis(2-(1,3-benzoxazol-2-yl)phenol);ytterbium
SMILESOc1ccccc1-c1nc2ccccc2o1.Oc1ccccc1-c1nc2ccccc2o1.[Yb]
InChIInChI=1S/2C13H9NO2.Yb/c2*15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13;/h2*1-8,15H;
InChIKeyCGUXPTUGUPPQKH-UHFFFAOYSA-N
XLogP6.40
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.48
LogP ≤ 56.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

bis(2-(1,3-benzoxazol-2-yl)phenol);oxovanadium
CID 162253412
azane;2-(1,3-benzoxazol-2-yl)phenol;phenol;toluene
CID 160629799
tetrakis(2-(1,3-benzothiazol-2-yl)phenol);tetrakis(2-(1,3-benzoxazol-2-yl)phenol);zinc
CID 160581752
bis(3-(1,3-benzoxazol-2-yl)naphthalen-2-ol);zinc
CID 153426801
2,6-bis(1,3-benzoxazol-2-yl)-4-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]phenol
CID 139797678
4-(1,3-benzoxazol-2-yl)-3-hydroxybenzonitrile
CID 165357068
2-(2-chlorophenyl)-1,3-benzoxazole
CID 3014177
tetrakis(2-(5-methyl-1,3-benzoxazol-2-yl)phenol);zirconium
CID 173044170
2-[2-(2-hydroxyphenyl)-1,3-benzoxazol-4-yl]phenol
CID 135749803
2-naphtho[2,3-f][1,3]benzoxazol-2-ylphenol
CID 137169500
3,6-bis(1,3-benzoxazol-2-yl)dibenzofuran-2-ol
CID 135841605
2-[2-(4-phenylphenyl)phenyl]-1,3-benzoxazole
CID 19044929

Frequently Asked Questions

What is the IUPAC name of bis(2-(1,3-benzoxazol-2-yl)phenol);ytterbium?
The IUPAC name of bis(2-(1,3-benzoxazol-2-yl)phenol);ytterbium (CID 157356181) is bis(2-(1,3-benzoxazol-2-yl)phenol);ytterbium.
What is the SMILES notation for bis(2-(1,3-benzoxazol-2-yl)phenol);ytterbium?
The canonical SMILES for bis(2-(1,3-benzoxazol-2-yl)phenol);ytterbium is Oc1ccccc1-c1nc2ccccc2o1.Oc1ccccc1-c1nc2ccccc2o1.[Yb].
What is the InChIKey of bis(2-(1,3-benzoxazol-2-yl)phenol);ytterbium?
The InChIKey is CGUXPTUGUPPQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H9NO2.Yb/c2*15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13;/h2*1-8,15H;.
What are the key properties of bis(2-(1,3-benzoxazol-2-yl)phenol);ytterbium?
bis(2-(1,3-benzoxazol-2-yl)phenol);ytterbium has a molecular weight of 595.48 g/mol, XLogP of 6.40, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(1,3-benzoxazol-2-yl)phenol);ytterbium is sourced from PubChem (CID 157356181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).