Phenyl(tetrahydro-2H-pyran-4-yl)methanol - CAS 216087-92-2

Catalog:	BB017005
Product Name:	Phenyl(tetrahydro-2H-pyran-4-yl)methanol
CAS:	216087-92-2
Synonyms:	4-oxanyl(phenyl)methanol; oxan-4-yl(phenyl)methanol

Technical Data

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Computed Properties

IUPAC Name:	oxan-4-yl(phenyl)methanol
Description:	Tetrahydro-α-phenyl-2H-pyran-4-methanol preparation of tricyclic compounds as bromodomain and BET inhibitors.
Molecular Weight:	192.25
Molecular Formula:	C12H16O2
Canonical SMILES:	C1COCCC1C(C2=CC=CC=C2)O
InChI:	InChI=1S/C12H16O2/c13-12(10-4-2-1-3-5-10)11-6-8-14-9-7-11/h1-5,11-13H,6-9H2
InChI Key:	DAXAFMSSNPTLPA-UHFFFAOYSA-N
LogP:	2.14660

Publication Number	Title	Priority Date
WO-2020215094-A1	Substituted 2-amino-pyrazolyl-[1,2,4]triazolo[1,5a] pyridine derivatives and use thereof	20190418
WO-2020200284-A1	Preparation method for tricyclic compound and use of same in field of medicine	20190404
WO-2020001152-A1	Tricyclic compounds	20180625
AU-2019295983-A1	Tricyclic compounds	20180625
BR-112020026337-A2	TRICYCLIC COMPOUNDS	20180625

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Complexity:	158
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	192.115029749
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	192.115029749
Rotatable Bond Count:	2
Topological Polar Surface Area:	29.5
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7