6-(benzyloxy)-1H-indole

HCID 260804CAS 15903-94-3
Substructure searchFind similar structures

Basic information

Standard SMILES
c1ccc(COc2ccc3cc[nH]c3c2)cc1
InChIKey
FPMICYBCFBLGOZ-UHFFFAOYSA-N
Molecular formula
C15H13NO
Average molar mass
223.27 g/mol
Monoisotopic mass
223.09971404

Names & identifiers

Preferred name
6-(benzyloxy)-1H-indole
IUPAC
6-phenylmethoxy-1H-indole
English name
6-Benzyloxyindole
Molecular formula
C15H13NO
Molecular weight
223.27

Names & synonyms

6-(Benzyloxy)-1H-indoleRefChem:539554810-565-26-Benzyloxyindole15903-94-36-phenylmethoxy-1H-indole1H-INDOLE, 6-(PHENYLMETHOXY)-MFCD000535546-(Benzyloxy)indole6-benzoxyindole6-PhenylmethoxyindoleNSC92538
Show more names
NSC 925386-Benzloxy-indoleNH6-Benzyloxyindole6-BENZYLOXYINDOLE 97%6-Benzyloxyindole >6-Benzyloxyindole ,98%6-(Benzyloxy)-1H-indole 98%
SCHEMBL707702NSC-92538STK634037CS-W007642HY-W007642PS-77986-(phenylmethoxy)indole6-benzy

Database identifiers

CAS
15903-94-3
PubChem CID
260804
DTXSID
DTXSID00293834
ChEMBL
CHEMBL6145611
EC Number
810-565-2
Nikkaji
J1.037.401D

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
25 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
3
Heavy atoms
17

Physicochemical properties

Melting point
116 · 116-119°C
Boiling point
411.6 · 411.6±20.0 °C(Predicted)
Density
1.196 · 1.196±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C
solubility
Chloroform (Slightly), Diethyl Ether (Slightly), Ethanol (Slightly), Ethyl Aceta
pka
17.17 · 17.17±0.30(Predicted)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

wgk
3
hs_code
29339990
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07,GHS02
hazard_code
Xi

Chemistry & industry

Applications · 2 items

UsesIndole derivative, as antiviral and antitumor agent

UsesReactant for enantioselective synthesis of quaternary carbon-containing 3-(3-indolyl)isoindolin-1-onesReactant for Friedel-Crafts alkylation reactions with hydroxyisoindolinonesReactant for direct and regioselective synthesis of β-heteroarylated ketonesReactant for preparation of hepatitis C virus (HCV) inhibitorsReactant for preparation of protein kinase C (PKC) inhibitorsReactant for preparation of indol-3-yl tetramethylcyclopropyl ketones as CB2 cannabinoid receptor ligands

Upstream & downstream products

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海策嵘生物科技有限公司[email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]

Related reactions

33 records
New reaction record

Linked notes

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