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1003707-00-3 | Benzenemethanol, α-butyl-4-(phenylmethyl)-
CAS No: 1003707-00-3 Catalog No: AG0001RG MDL No:
Product Description
Catalog Number:
AG0001RG
Chemical Name:
Benzenemethanol, α-butyl-4-(phenylmethyl)-
CAS Number:
1003707-00-3
Molecular Formula:
C18H22O
Molecular Weight:
254.3667
IUPAC Name:
1-(4-benzylphenyl)pentan-1-ol
InChI:
InChI=1S/C18H22O/c1-2-3-9-18(19)17-12-10-16(11-13-17)14-15-7-5-4-6-8-15/h4-8,10-13,18-19H,2-3,9,14H2,1H3
InChI Key:
YCVJJGITBVPVTQ-UHFFFAOYSA-N
SMILES:
CCCCC(c1ccc(cc1)Cc1ccccc1)O
Properties
Complexity:
224
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:
6
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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