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15357-92-3 molecular structure
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7-(benzyloxy)-6-methoxy-3,4-dihydroisoquinoline

ChemBase ID: 288624
Molecular Formular: C17H17NO2
Molecular Mass: 267.32238
Monoisotopic Mass: 267.12592879
SMILES and InChIs

SMILES:
COc1cc2c(C=NCC2)cc1OCc1ccccc1
Canonical SMILES:
COc1cc2CCN=Cc2cc1OCc1ccccc1
InChI:
InChI=1S/C17H17NO2/c1-19-16-9-14-7-8-18-11-15(14)10-17(16)20-12-13-5-3-2-4-6-13/h2-6,9-11H,7-8,12H2,1H3
InChIKey:
KPCZWMYFJQPPSN-UHFFFAOYSA-N

Cite this record

CBID:288624 http://www.chembase.cn/molecule-288624.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-(benzyloxy)-6-methoxy-3,4-dihydroisoquinoline
IUPAC Traditional name
7-(benzyloxy)-6-methoxy-3,4-dihydroisoquinoline
Synonyms
7-Benzyloxy-6-methoxy-3,4-dihydroisoquinoline
CAS Number
15357-92-3
PubChem SID
180674155
PubChem CID
10890846

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD210514 Please log in.
Data Source Data ID
PubChem 10890846 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.1495855  LogD (pH = 7.4) 3.2925572 
Log P 3.3711047  Molar Refractivity 80.4444 cm3
Polarizability 30.394749 Å3 Polar Surface Area 30.82 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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