7-Benzyloxyindole - CAS 20289-27-4

Catalog:	BB015775
Product Name:	7-Benzyloxyindole
CAS:	20289-27-4
Synonyms:	7-phenylmethoxy-1H-indole; 7-phenylmethoxy-1H-indole

Technical Data

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Computed Properties

IUPAC Name:	7-phenylmethoxy-1H-indole
Description:	Indole analogue as inhibitor.
Molecular Weight:	223.27
Molecular Formula:	C15H13NO
Canonical SMILES:	C1=CC=C(C=C1)COC2=CC=CC3=C2NC=C3
InChI:	InChI=1S/C15H13NO/c1-2-5-12(6-3-1)11-17-14-8-4-7-13-9-10-16-15(13)14/h1-10,16H,11H2
InChI Key:	DIGZMTAFOACVBW-UHFFFAOYSA-N
Boiling Point:	411.6 °C at 760 mmHg
Purity:	98.0%
Density:	1.196 g/cm³
MDL:	MFCD00037974
LogP:	3.74690

Publication Number	Title	Priority Date
CN-112574093-A	Novel green method for preparing 3-diaryl methyl substituted indole compound	20210129
CN-112479970-A	Indole beta-site alkylation method without participation of transition metal	20201118
EP-3875086-A1	Dual-inhibitors of cellular necroptosis and ferroptosis for use in the treatment of organ transplant patients	20200304
KR-102300565-B1	Polymer membrane containing composite nanoparticles capped with the indole compound and a method of manufacturing the same	20200227
KR-20210109189-A	Polymer membrane containing composite nanoparticles capped with the indole compound and a method of manufacturing the same	20200227

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Related Functional Groups

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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:	237
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	223.099714038
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	223.099714038
Rotatable Bond Count:	3
Topological Polar Surface Area:	25 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.5