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160545-17-5 | 1,2-Benzenediol, 4-[bis(5-cyclohexyl-4-hydroxy-2-methylphenyl)methyl]-
CAS No: 160545-17-5 Catalog No: AG001S0I MDL No:
Product Description
Catalog Number:
AG001S0I
Chemical Name:
1,2-Benzenediol, 4-[bis(5-cyclohexyl-4-hydroxy-2-methylphenyl)methyl]-
CAS Number:
160545-17-5
Molecular Formula:
C33H40O4
Molecular Weight:
500.6683
IUPAC Name:
4-[bis(5-cyclohexyl-4-hydroxy-2-methylphenyl)methyl]benzene-1,2-diol
InChI:
InChI=1S/C33H40O4/c1-20-15-30(35)27(22-9-5-3-6-10-22)18-25(20)33(24-13-14-29(34)32(37)17-24)26-19-28(31(36)16-21(26)2)23-11-7-4-8-12-23/h13-19,22-23,33-37H,3-12H2,1-2H3
InChI Key:
XHHCPUPIFYYPCN-UHFFFAOYSA-N
SMILES:
Cc1cc(O)c(cc1C(c1cc(C2CCCCC2)c(cc1C)O)c1ccc(c(c1)O)O)C1CCCCC1
Properties
Complexity:
654
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
500.293g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
500.679g/mol
Monoisotopic Mass:
500.293g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.7
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