4-Hydroxy-8-methyl-2-phenylquinoline - CAS 92855-38-4
Catalog: |
BB040672 |
Product Name: |
4-Hydroxy-8-methyl-2-phenylquinoline |
CAS: |
92855-38-4 |
Synonyms: |
8-methyl-2-phenyl-1H-quinolin-4-one |
IUPAC Name: | 8-methyl-2-phenyl-1H-quinolin-4-one |
Description: | 4-Hydroxy-8-methyl-2-phenylquinoline (CAS# 92855-38-4) is a useful research chemical. |
Molecular Weight: | 235.28 |
Molecular Formula: | C16H13NO |
Canonical SMILES: | CC1=CC=CC2=C1NC(=CC2=O)C3=CC=CC=C3 |
InChI: | InChI=1S/C16H13NO/c1-11-6-5-9-13-15(18)10-14(17-16(11)13)12-7-3-2-4-8-12/h2-10H,1H3,(H,17,18) |
InChI Key: | NGUWFPQUQMBYJN-UHFFFAOYSA-N |
Boiling Point: | 402.3 °C at 760 mmHg |
Density: | 1.173 g/cm3 |
LogP: | 3.91580 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard] |
Precautionary Statement: | P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P317, P330, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2010033466-A1 | Macrocyclic inhibitors of hepatitis c protease | 20080916 |
JP-2004043457-A | 2-Substituted quinoline-8-carboxylic amide derivatives | 20020522 |
Complexity: | 354 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 235.099714038 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 235.099714038 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 29.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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Related Functional Groups
Quinoline/Isoquinoline
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