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938458-74-3 molecular structure
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bis[3-(methoxymethoxy)phenyl]methanone

ChemBase ID: 306496
Molecular Formular: C17H18O5
Molecular Mass: 302.32182
Monoisotopic Mass: 302.11542368
SMILES and InChIs

SMILES:
C(=O)(c1cc(OCOC)ccc1)c1cc(OCOC)ccc1
Canonical SMILES:
COCOc1cccc(c1)C(=O)c1cccc(c1)OCOC
InChI:
InChI=1S/C17H18O5/c1-19-11-21-15-7-3-5-13(9-15)17(18)14-6-4-8-16(10-14)22-12-20-2/h3-10H,11-12H2,1-2H3
InChIKey:
LEQQQLKZYUCMJN-UHFFFAOYSA-N

Cite this record

CBID:306496 http://www.chembase.cn/molecule-306496.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
bis[3-(methoxymethoxy)phenyl]methanone
IUPAC Traditional name
bis[3-(methoxymethoxy)phenyl]methanone
Synonyms
bis[3-(methoxymethoxy)phenyl]methanone
CAS Number
938458-74-3
MDL Number
MFCD09055166

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.2435071  LogD (pH = 7.4) 3.2435071 
Log P 3.2435071  Molar Refractivity 81.2659 cm3
Polarizability 32.081005 Å3 Polar Surface Area 53.99 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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