4-Phenylcyclohexanol - CAS 5437-46-7

Catalog:	BB028627
Product Name:	4-Phenylcyclohexanol
CAS:	5437-46-7
Synonyms:	4-phenyl-1-cyclohexanol; 4-phenylcyclohexan-1-ol

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Computed Properties

IUPAC Name:	4-phenylcyclohexan-1-ol
Description:	4-Phenylcyclohexanol (CAS# 5437-46-7) is a useful research chemical.
Molecular Weight:	176.25
Molecular Formula:	C12H16O
Canonical SMILES:	C1CC(CCC1C2=CC=CC=C2)O
InChI:	InChI=1S/C12H16O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-5,11-13H,6-9H2
InChI Key:	YVVUSIMLVPJXMY-UHFFFAOYSA-N
Boiling Point:	295.8 °C at 760 mmHg
Density:	1.051 g/cm³
MDL:	MFCD00013757
LogP:	2.70510

Publication Number	Title	Priority Date
WO-2021050059-A1	Dna-pk inhibiting compounds	20190911
WO-2021026047-A1	Heteroaryl pyrrolidine and piperidine orexin receptor agonists	20190808
WO-2020257487-A1	Glycolate oxidase inhibitors for the treatment of disease	20190619
US-2020255403-A1	5-alkyl pyrrolidine orexin receptor agonists	20190213
WO-2020167701-A1	Pyrrolidine orexin receptor agonists	20190213

PMID	Publication Date	Title	Journal
18619298	20080401	[GC-FTIR analysis of structural isomers from hydrogenation products of p-phenylphenol]	Guang pu xue yu guang pu fen xi = Guang pu

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	141
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	176.120115130
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	176.120115130
Rotatable Bond Count:	1
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6