Home > Compound List > Compound details
130205-11-7 molecular structure
click picture or here to close

3-(naphthalen-1-ylmethoxy)benzaldehyde

ChemBase ID: 121519
Molecular Formular: C18H14O2
Molecular Mass: 262.30256
Monoisotopic Mass: 262.09937969
SMILES and InChIs

SMILES:
c12c(COc3cc(C=O)ccc3)cccc1cccc2
Canonical SMILES:
O=Cc1cccc(c1)OCc1cccc2c1cccc2
InChI:
InChI=1S/C18H14O2/c19-12-14-5-3-9-17(11-14)20-13-16-8-4-7-15-6-1-2-10-18(15)16/h1-12H,13H2
InChIKey:
FJHDNJULYZUAQT-UHFFFAOYSA-N

Cite this record

CBID:121519 http://www.chembase.cn/molecule-121519.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(naphthalen-1-ylmethoxy)benzaldehyde
IUPAC Traditional name
3-(naphthalen-1-ylmethoxy)benzaldehyde
Synonyms
3-(1-naphthylmethoxy)benzaldehyde
3-(naphthalen-1-ylmethoxy)benzaldehyde
CAS Number
130205-11-7
MDL Number
MFCD04227160
PubChem SID
162215872
PubChem CID
1494341

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 1494341 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.242027  LogD (pH = 7.4) 4.242027 
Log P 4.242027  Molar Refractivity 80.168 cm3
Polarizability 31.922472 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle