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850404-05-6 | 1H-Inden-1-ol, 5-methoxy-2-methyl-4-(1-methylethoxy)-3-phenyl-
CAS No: 850404-05-6 Catalog No: AG004PS5 MDL No:
Product Description
Catalog Number:
AG004PS5
Chemical Name:
1H-Inden-1-ol, 5-methoxy-2-methyl-4-(1-methylethoxy)-3-phenyl-
CAS Number:
850404-05-6
Molecular Formula:
C20H22O3
Molecular Weight:
310.3869
IUPAC Name:
5-methoxy-2-methyl-3-phenyl-4-propan-2-yloxy-1H-inden-1-ol
InChI:
InChI=1S/C20H22O3/c1-12(2)23-20-16(22-4)11-10-15-18(20)17(13(3)19(15)21)14-8-6-5-7-9-14/h5-12,19,21H,1-4H3
InChI Key:
WOPJZCHLTKPXGP-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1OC(C)C)C(=C(C2O)C)c1ccccc1
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.157g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
310.393g/mol
Monoisotopic Mass:
310.157g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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