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Home > Indoles and Oxindole > 104007-80-9
104007-80-9 | Phenol,4-(5-methoxy-3-methyl-1H-indol-2-yl)-2,6-dimethyl-
CAS No: 104007-80-9 Catalog No: AG007WT2 MDL No:
Product Description
Catalog Number:
AG007WT2
Chemical Name:
Phenol,4-(5-methoxy-3-methyl-1H-indol-2-yl)-2,6-dimethyl-
CAS Number:
104007-80-9
Molecular Formula:
C18H19NO2
Molecular Weight:
281.3490
IUPAC Name:
4-(5-methoxy-3-methyl-1H-indol-2-yl)-2,6-dimethylphenol
InChI:
InChI=1S/C18H19NO2/c1-10-7-13(8-11(2)18(10)20)17-12(3)15-9-14(21-4)5-6-16(15)19-17/h5-9,19-20H,1-4H3
InChI Key:
OZFHUMGEWVYBRM-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(C)c([nH]2)c1cc(C)c(c(c1)C)O
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.142g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
281.355g/mol
Monoisotopic Mass:
281.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
Literature
| Title | Journal |
|---|---|
| Phorbol ester-induced dermal inflammation in mice: evaluation of inhibitors of 5-lipoxygenase and antagonists of leukotriene B4 receptor. | Journal of lipid mediators and cell signalling 19940901 |
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