3-[(2S,3R)-3-(3-hydroxyphenyl)butan-2-yl]phenol
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3-[(2S,3R)-3-(3-hydroxyphenyl)butan-2-yl]phenol
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CAS No:
78682-42-5
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Formula:
C16H18O2
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Chemical Name:
3-[(2S,3R)-3-(3-hydroxyphenyl)butan-2-yl]phenol
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Synonyms:
1,2-dimethyl-1,2-bis(3'-hydroxyphenyl)ethane;metabutestrol;NSC 297169;NSC 297169, (DL)-isomer;NSC-297169;Metabutestrol;78682-42-5;NSC 297169;1,2-Dimethyl-1,2-bis(3'-hydroxyphenyl)ethane;CHEMBL113365;ZINC17108000;Phenol, 3,3'-(1,2-dimethyl-1,2-ethanediyl)bis-, (R*,S*)-
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CAS No:
Computed Properties
Molecular Weight:242.31
XLogP3:4.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:242.130679813
Monoisotopic Mass:242.130679813
Topological Polar Surface Area:40.5
Heavy Atom Count:18
Complexity:228
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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