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2622-83-5 | Phenol, 4-(1-methylpropyl)-2-(1-phenylethyl)-
CAS No: 2622-83-5 Catalog No: AG002SC4 MDL No:
Product Description
Catalog Number:
AG002SC4
Chemical Name:
Phenol, 4-(1-methylpropyl)-2-(1-phenylethyl)-
CAS Number:
2622-83-5
Molecular Formula:
C18H22O
Molecular Weight:
254.3667
IUPAC Name:
4-butan-2-yl-2-(1-phenylethyl)phenol
InChI:
InChI=1S/C18H22O/c1-4-13(2)16-10-11-18(19)17(12-16)14(3)15-8-6-5-7-9-15/h5-14,19H,4H2,1-3H3
InChI Key:
QJNBIFRUSFIANU-UHFFFAOYSA-N
SMILES:
CCC(c1ccc(c(c1)C(c1ccccc1)C)O)C
EC Number:
220-075-5
NSC Number:
97296
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.167g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.373g/mol
Monoisotopic Mass:
254.167g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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