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156740-94-2 | Phenol, 3-(1-methylethyl)-4-(phenylmethoxy)-
CAS No: 156740-94-2 Catalog No: AG001OYT MDL No:
Product Description
Catalog Number:
AG001OYT
Chemical Name:
Phenol, 3-(1-methylethyl)-4-(phenylmethoxy)-
CAS Number:
156740-94-2
Molecular Formula:
C16H18O2
Molecular Weight:
242.3129
IUPAC Name:
4-phenylmethoxy-3-propan-2-ylphenol
InChI:
InChI=1S/C16H18O2/c1-12(2)15-10-14(17)8-9-16(15)18-11-13-6-4-3-5-7-13/h3-10,12,17H,11H2,1-2H3
InChI Key:
JRXDSZKTLGMSIF-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1)C(C)C)OCc1ccccc1
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.131g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.318g/mol
Monoisotopic Mass:
242.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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