1-(Hydroxymethyl)-5,6,7,8-tetrahydronaphthalene - CAS 41790-30-1

Catalog:	BB024959
Product Name:	1-(Hydroxymethyl)-5,6,7,8-tetrahydronaphthalene
CAS:	41790-30-1
Synonyms:	5,6,7,8-tetrahydronaphthalen-1-ylmethanol; 5,6,7,8-tetrahydronaphthalen-1-ylmethanol

Technical Data

Patents

Computed Properties

IUPAC Name:	5,6,7,8-tetrahydronaphthalen-1-ylmethanol
Description:	1-(Hydroxymethyl)-5,6,7,8-tetrahydronaphthalene (CAS# 41790-30-1) is used as an intermediate in various chemical synthesis. It is utilized in the preparation of tricyclic benzazepines, having dopamine D1- and D2-affinity.
Molecular Weight:	162.23
Molecular Formula:	C11H14O
Canonical SMILES:	C1CCC2=C(C1)C=CC=C2CO
InChI:	InChI=1S/C11H14O/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h3,5-6,12H,1-2,4,7-8H2
InChI Key:	QLXUVXUSWPMMLY-UHFFFAOYSA-N
LogP:	2.05770

Publication Number	Title	Priority Date
WO-2017156181-A1	3-phosphoglycerate dehydrogenase inhibitors and uses thereof	20160309
AU-2017229128-A1	Antibacterial compounds and uses thereof	20160307
CA-3016068-A1	Antibacterial compounds and uses thereof	20160307
EP-3426255-A1	Antibacterial compounds and uses thereof	20160307
JP-2019507769-A	Antibacterial compound and use thereof	20160307

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Complexity:	144
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	162.104465066
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	162.104465066
Rotatable Bond Count:	1
Topological Polar Surface Area:	20.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4