Home Other Building Blocks 3,3-dimethyl-1-(4-phenylphenoxy)-1-(1,2,4-triazol-1-yl)butan-2-ol

3,3-dimethyl-1-(4-phenylphenoxy)-1-(1,2,4-triazol-1-yl)butan-2-ol

CAS No.:
55179-31-2
Catalog Number:
AG01CC5T
Molecular Formula:
C20H23N3O2
Molecular Weight:
337.4155
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Product Description
Catalog Number:
AG01CC5T
Chemical Name:
3,3-dimethyl-1-(4-phenylphenoxy)-1-(1,2,4-triazol-1-yl)butan-2-ol
CAS Number:
55179-31-2
Molecular Formula:
C20H23N3O2
Molecular Weight:
337.4155
MDL Number:
MFCD00055508
IUPAC Name:
3,3-dimethyl-1-(4-phenylphenoxy)-1-(1,2,4-triazol-1-yl)butan-2-ol
InChI:
InChI=1S/C20H23N3O2/c1-20(2,3)18(24)19(23-14-21-13-22-23)25-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-14,18-19,24H,1-3H3
InChI Key:
VGPIBGGRCVEHQZ-UHFFFAOYSA-N
SMILES:
OC(C(C)(C)C)C(n1cncn1)Oc1ccc(cc1)c1ccccc1
EC Number:
259-513-5
Properties
Complexity:
398  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.179g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
337.423g/mol
Monoisotopic Mass:
337.179g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  
Literature
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Properties