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116145-09-6 | 1H-Inden-4-ol, 2,3-dihydro-7-methyl-5-phenyl-
CAS No: 116145-09-6 Catalog No: AG000BQY MDL No:
Product Description
Catalog Number:
AG000BQY
Chemical Name:
1H-Inden-4-ol, 2,3-dihydro-7-methyl-5-phenyl-
CAS Number:
116145-09-6
Molecular Formula:
C16H16O
Molecular Weight:
224.2976
IUPAC Name:
7-methyl-5-phenyl-2,3-dihydro-1H-inden-4-ol
InChI:
InChI=1S/C16H16O/c1-11-10-15(12-6-3-2-4-7-12)16(17)14-9-5-8-13(11)14/h2-4,6-7,10,17H,5,8-9H2,1H3
InChI Key:
AZOZLLYSYKMHRZ-UHFFFAOYSA-N
SMILES:
Oc1c(cc(c2c1CCC2)C)c1ccccc1
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.12g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.303g/mol
Monoisotopic Mass:
224.12g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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