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205639-20-9 | 1H-Inden-6-ol, 3-ethyl-2-(4-hydroxyphenyl)-1-propyl-, (1S)-
CAS No: 205639-20-9 Catalog No: AG002A8G MDL No:
Product Description
Catalog Number:
AG002A8G
Chemical Name:
1H-Inden-6-ol, 3-ethyl-2-(4-hydroxyphenyl)-1-propyl-, (1S)-
CAS Number:
205639-20-9
Molecular Formula:
C20H22O2
Molecular Weight:
294.3875
IUPAC Name:
(3S)-1-ethyl-2-(4-hydroxyphenyl)-3-propyl-3H-inden-5-ol
InChI:
InChI=1S/C20H22O2/c1-3-5-18-19-12-15(22)10-11-17(19)16(4-2)20(18)13-6-8-14(21)9-7-13/h6-12,18,21-22H,3-5H2,1-2H3/t18-/m0/s1
InChI Key:
LAOKKJPJFDGESA-SFHVURJKSA-N
SMILES:
CCC[C@H]1c2cc(O)ccc2C(=C1c1ccc(cc1)O)CC
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
294.162g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
294.394g/mol
Monoisotopic Mass:
294.162g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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