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89764-55-6 | Benzene, 1-[4-(4-ethoxyphenyl)-4-methylpentyl]-3-(phenylmethyl)-
CAS No: 89764-55-6 Catalog No: AG0040MJ MDL No:
Product Description
Catalog Number:
AG0040MJ
Chemical Name:
Benzene, 1-[4-(4-ethoxyphenyl)-4-methylpentyl]-3-(phenylmethyl)-
CAS Number:
89764-55-6
Molecular Formula:
C27H32O
Molecular Weight:
372.5424
IUPAC Name:
1-benzyl-3-[4-(4-ethoxyphenyl)-4-methylpentyl]benzene
InChI:
InChI=1S/C27H32O/c1-4-28-26-17-15-25(16-18-26)27(2,3)19-9-14-23-12-8-13-24(21-23)20-22-10-6-5-7-11-22/h5-8,10-13,15-18,21H,4,9,14,19-20H2,1-3H3
InChI Key:
IBCPKXHVKXJECK-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)C(CCCc1cccc(c1)Cc1ccccc1)(C)C
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.245g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
372.552g/mol
Monoisotopic Mass:
372.245g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.4
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