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885-26-7 molecular structure
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2-propoxynaphthalene-1-carbaldehyde

ChemBase ID: 232330
Molecular Formular: C14H14O2
Molecular Mass: 214.25976
Monoisotopic Mass: 214.09937969
SMILES and InChIs

SMILES:
c1(c2c(ccc1OCCC)cccc2)C=O
Canonical SMILES:
CCCOc1ccc2c(c1C=O)cccc2
InChI:
InChI=1S/C14H14O2/c1-2-9-16-14-8-7-11-5-3-4-6-12(11)13(14)10-15/h3-8,10H,2,9H2,1H3
InChIKey:
VQEKSPXFVANRGG-UHFFFAOYSA-N

Cite this record

CBID:232330 http://www.chembase.cn/molecule-232330.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-propoxynaphthalene-1-carbaldehyde
IUPAC Traditional name
2-propoxynaphthalene-1-carbaldehyde
Synonyms
2-propoxy-1-naphthaldehyde
2-Propoxy-naphthalene-1-carbaldehyde
CAS Number
885-26-7
MDL Number
MFCD04084430
PubChem SID
164288240
PubChem CID
2060568

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2060568 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.396884  LogD (pH = 7.4) 3.396884 
Log P 3.396884  Molar Refractivity 64.828 cm3
Polarizability 25.984493 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
65 - 68°C expand Show data source
Hydrophobicity(logP)
4.011 expand Show data source
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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