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1240790-39-9 | Benzenepentanol, α-(3-methoxyphenyl)-
CAS No: 1240790-39-9 Catalog No: AG000LJ4 MDL No:
Product Description
Catalog Number:
AG000LJ4
Chemical Name:
Benzenepentanol, α-(3-methoxyphenyl)-
CAS Number:
1240790-39-9
Molecular Formula:
C18H22O2
Molecular Weight:
270.3661
IUPAC Name:
1-(3-methoxyphenyl)-5-phenylpentan-1-ol
InChI:
InChI=1S/C18H22O2/c1-20-17-12-7-11-16(14-17)18(19)13-6-5-10-15-8-3-2-4-9-15/h2-4,7-9,11-12,14,18-19H,5-6,10,13H2,1H3
InChI Key:
BVZCHGRWOGNEGT-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)C(CCCCc1ccccc1)O
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.162g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.372g/mol
Monoisotopic Mass:
270.162g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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