4-Hydroxy-4-(5-methoxy-2-pyridyl)cyclohexanone - CAS 1228652-20-7
Catalog: |
BB005544 |
Product Name: |
4-Hydroxy-4-(5-methoxy-2-pyridyl)cyclohexanone |
CAS: |
1228652-20-7 |
Synonyms: |
4-hydroxy-4-(5-methoxy-2-pyridinyl)-1-cyclohexanone; 4-hydroxy-4-(5-methoxypyridin-2-yl)cyclohexan-1-one |
IUPAC Name: | 4-hydroxy-4-(5-methoxypyridin-2-yl)cyclohexan-1-one |
Description: | 4-Hydroxy-4-(5-methoxy-2-pyridyl)cyclohexanone (CAS# 1228652-20-7 ) is a useful research chemical. |
Molecular Weight: | 221.25 |
Molecular Formula: | C12H15NO3 |
Canonical SMILES: | COC1=CN=C(C=C1)C2(CCC(=O)CC2)O |
InChI: | InChI=1S/C12H15NO3/c1-16-10-2-3-11(13-8-10)12(15)6-4-9(14)5-7-12/h2-3,8,15H,4-7H2,1H3 |
InChI Key: | MYNIIYFLSAWTBH-UHFFFAOYSA-N |
LogP: | 1.42090 |
Publication Number | Title | Priority Date |
AU-2009324723-A1 | 4-azetidinyl-1-heteroaryl-cyclohexanol antagonists of CCR2 | 20081210 |
AU-2009324723-B2 | 4-azetidinyl-1-heteroaryl-cyclohexanol antagonists of CCR2 | 20081210 |
CA-2745969-A1 | 4-azetidinyl-1-heteroaryl-cyclohexanol antagonists of ccr2 | 20081210 |
EA-018997-B1 | CCR2 ANTAGONISTS OF 4-AZETIDINYL-1-HETEROARYL CYCLOGEXANOL GROUP | 20081210 |
EP-2376475-A1 | 4-azetidinyl-1-heteroaryl-cyclohexanol antagonists of ccr2 | 20081210 |
Complexity: | 257 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 221.10519334 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 221.10519334 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 59.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0 |
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