1-(4-Chlorophenyl)-3-methyl-2-butanol - CAS 42024-40-8
Catalog: |
BB025017 |
Product Name: |
1-(4-Chlorophenyl)-3-methyl-2-butanol |
CAS: |
42024-40-8 |
Synonyms: |
1-(4-chlorophenyl)-3-methyl-2-butanol; 1-(4-chlorophenyl)-3-methylbutan-2-ol |
IUPAC Name: | 1-(4-chlorophenyl)-3-methylbutan-2-ol |
Description: | 1-(4-Chlorophenyl)-3-methyl-2-butanol (CAS# 42024-40-8 ) is a useful research chemical. |
Molecular Weight: | 198.69 |
Molecular Formula: | C11H15ClO |
Canonical SMILES: | CC(C)C(CC1=CC=C(C=C1)Cl)O |
InChI: | InChI=1S/C11H15ClO/c1-8(2)11(13)7-9-3-5-10(12)6-4-9/h3-6,8,11,13H,7H2,1-2H3 |
InChI Key: | CBAJDMVADUVMKD-UHFFFAOYSA-N |
LogP: | 2.89940 |
Publication Number | Title | Priority Date |
AU-2007281993-A1 | Heteroaryl compounds useful as inhibitors of E1 activating enzymes | 20060808 |
AU-2007281993-B2 | Heteroaryl compounds useful as inhibitors of E1 activating enzymes | 20060808 |
CA-2659894-A1 | Heteroaryl compounds useful as inhibitors of e1 activating enzymes | 20060808 |
EP-2049491-A1 | Heteroaryl compounds useful as inhibitors of e1 activating enzymes | 20060808 |
EP-2049491-B1 | Heteroaryl compounds useful as inhibitors of e1 activating enzymes | 20060808 |
Complexity: | 139 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 198.0811428 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 198.0811428 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 20.2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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