5-Benzyloxy-1-pentanol - CAS 4541-15-5

Catalog:	BB025851
Product Name:	5-Benzyloxy-1-pentanol
CAS:	4541-15-5
Synonyms:	5-phenylmethoxypentan-1-ol

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Computed Properties

IUPAC Name:	5-phenylmethoxypentan-1-ol
Description:	5-Benzyloxy-1-pentanol (CAS# 4541-15-5) is an organic building block used in the synthesis of various pharmaceutical compounds. It is used in the synthesis of putaminoxin, a phytotoxic macrolide.
Molecular Weight:	194.27
Molecular Formula:	C12H18O2
Canonical SMILES:	C1=CC=C(C=C1)COCCCCCO
InChI:	InChI=1S/C12H18O2/c13-9-5-2-6-10-14-11-12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2
InChI Key:	RZVDPWSEPVHOPU-UHFFFAOYSA-N
Boiling Point:	140 °C / 0.4 mmHg (lit.)
Density:	1.008 g/cm³
MDL:	MFCD00155211
LogP:	2.36580

Publication Number	Title	Priority Date
WO-2021170774-A1	New macrocyclic compounds, a process for their preparation and pharmaceutical compositions containing them	20200228
WO-2021159021-A1	Lipid prodrugs of neurosteroids	20200205
US-2021145810-A1	Xanomeline derivatives and methods for treating neurological disorders	20191115
WO-2021097427-A1	Xanomeline derivatives and methods for treating neurological disorders	20191115
WO-2021011913-A1	Tau-protein targeting compounds and associated methods of use	20190717

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Related Functional Groups

Oxygen Compounds

[77987-49-6]
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[5333-45-9]
1,2,3,5-Tetramethoxybenzene
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[88-60-8]
2-tert-Butyl-5-methylphenol
[5724-76-5]
3-(2,5-Dioxopyrrolidin-1-yl)propionic acid
[13566-71-7]
4(3H)-Pyrimidinone,6-hydroxy-2-phenyl-

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	120
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	194.130679813
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	194.130679813
Rotatable Bond Count:	7
Topological Polar Surface Area:	29.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2