3-(2-Hydroxy-2-propyl)phenol - CAS 7765-97-1

Catalog:	BB036006
Product Name:	3-(2-Hydroxy-2-propyl)phenol
CAS:	7765-97-1
Synonyms:	3-(2-hydroxypropan-2-yl)phenol; 3-(2-hydroxypropan-2-yl)phenol

Technical Data

Patents

Computed Properties

IUPAC Name:	3-(2-hydroxypropan-2-yl)phenol
Description:	3-(2-Hydroxy-2-propyl)phenol (CAS# 7765-97-1) is an intermediate in the preparation of DDAO (D195160).
Molecular Weight:	152.19
Molecular Formula:	C9H12O2
Canonical SMILES:	CC(C)(C1=CC(=CC=C1)O)O
InChI:	InChI=1S/C9H12O2/c1-9(2,11)7-4-3-5-8(10)6-7/h3-6,10-11H,1-2H3
InChI Key:	KNCICOZTHWGRMY-UHFFFAOYSA-N
Boiling Point:	288.2 °C at 760 mmHg
Density:	1.122 g/cm³
LogP:	1.61960

Publication Number	Title	Priority Date
WO-2020008013-A1	Amino-pyrimidonyl derivatives, a process for their preparation and pharmaceutical compositions containing them	20180705
TW-202019909-A	Novel amino-pyrimidinone derivatives, methods for their preparation, and pharmaceutical compositions containing them	20180705
AU-2019297489-A1	Amino-pyrimidonyl derivatives, a process for their preparation and pharmaceutical compositions containing them	20180705
CN-112368276-A	Amino-pyrimidinone derivatives, process for their preparation and pharmaceutical compositions containing them	20180705
KR-20210029231-A	Amino-pyrimidonyl derivative, preparation method thereof, and pharmaceutical composition containing same	20180705

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Complexity:	132
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	152.083729621
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	152.083729621
Rotatable Bond Count:	1
Topological Polar Surface Area:	40.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8