200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 130942-02-8
130942-02-8 | 2-Heptyn-4-ol, 1-(phenylmethoxy)-
CAS No: 130942-02-8 Catalog No: AG000V4Y MDL No:
Product Description
Catalog Number:
AG000V4Y
Chemical Name:
2-Heptyn-4-ol, 1-(phenylmethoxy)-
CAS Number:
130942-02-8
Molecular Formula:
C14H18O2
Molecular Weight:
218.2915
IUPAC Name:
1-phenylmethoxyhept-2-yn-4-ol
InChI:
InChI=1S/C14H18O2/c1-2-7-14(15)10-6-11-16-12-13-8-4-3-5-9-13/h3-5,8-9,14-15H,2,7,11-12H2,1H3
InChI Key:
AGHVCYVFRKPETR-UHFFFAOYSA-N
SMILES:
CCCC(C#CCOCc1ccccc1)O
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.131g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.296g/mol
Monoisotopic Mass:
218.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Structure based drug design, synthesis and evaluation of 4-(benzyloxy)-1-phenylbut-2-yn-1-ol derivatives as 5-lipoxygenase inhibitors. | European journal of medicinal chemistry 20120101 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.