4-Cyclohexyl-3-(trifluoromethyl)benzyl Alcohol - CAS 957205-23-1

Catalog:	BB041828
Product Name:	4-Cyclohexyl-3-(trifluoromethyl)benzyl Alcohol
CAS:	957205-23-1
Synonyms:	[4-cyclohexyl-3-(trifluoromethyl)phenyl]methanol; [4-cyclohexyl-3-(trifluoromethyl)phenyl]methanol

Technical Data

Patents

Computed Properties

IUPAC Name:	[4-cyclohexyl-3-(trifluoromethyl)phenyl]methanol
Description:	4-Cyclohexyl-3-(trifluoromethyl)benzyl Alcohol (CAS# 957205-23-1 ) is a useful research chemical.
Molecular Weight:	258.28
Molecular Formula:	C14H17F3O
Canonical SMILES:	C1CCC(CC1)C2=C(C=C(C=C2)CO)C(F)(F)F
InChI:	InChI=1S/C14H17F3O/c15-14(16,17)13-8-10(9-18)6-7-12(13)11-4-2-1-3-5-11/h6-8,11,18H,1-5,9H2
InChI Key:	XIRMFYAEMKQCRT-UHFFFAOYSA-N
LogP:	4.24540

Publication Number	Title	Priority Date
WO-2020201172-A1	Process for making siponimod and intermediate thereof	20190329
WO-2020114475-A1	Aromatic ring derivative as immunoregulation and preparation method and application of aromatic ring derivative	20181206
WO-2020114477-A1	Compound acting as immunomodulator, preparation method therefor and uses thereof	20181206
WO-2019064184-A1	PROCESS FOR THE PREPARATION OF SIPONIMOD, ITS SALTS AND ASSOCIATED SOLID STATE FORMS	20170927
CN-111405897-A	Process for the preparation of siponimod, its salts and solid forms	20170927

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Complexity:	258
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	258.12314965
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	258.12314965
Rotatable Bond Count:	2
Topological Polar Surface Area:	20.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.5