200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 125151-55-5
125151-55-5 | 3-Butyn-2-ol, 2-methyl-4-[4-(pentyloxy)phenyl]-
CAS No: 125151-55-5 Catalog No: AG000N9F MDL No:
Product Description
Catalog Number:
AG000N9F
Chemical Name:
3-Butyn-2-ol, 2-methyl-4-[4-(pentyloxy)phenyl]-
CAS Number:
125151-55-5
Molecular Formula:
C16H22O2
Molecular Weight:
246.3447
IUPAC Name:
2-methyl-4-(4-pentoxyphenyl)but-3-yn-2-ol
InChI:
InChI=1S/C16H22O2/c1-4-5-6-13-18-15-9-7-14(8-10-15)11-12-16(2,3)17/h7-10,17H,4-6,13H2,1-3H3
InChI Key:
OIVILIOLOGCQBH-UHFFFAOYSA-N
SMILES:
CCCCCOc1ccc(cc1)C#CC(O)(C)C
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.162g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.35g/mol
Monoisotopic Mass:
246.162g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.