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5355-17-9 molecular structure
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4-(methoxymethyl)phenol

ChemBase ID: 287042
Molecular Formular: C8H10O2
Molecular Mass: 138.1638
Monoisotopic Mass: 138.06807956
SMILES and InChIs

SMILES:
Oc1ccc(COC)cc1
Canonical SMILES:
COCc1ccc(cc1)O
InChI:
InChI=1S/C8H10O2/c1-10-6-7-2-4-8(9)5-3-7/h2-5,9H,6H2,1H3
InChIKey:
AHXXIALEMINDAW-UHFFFAOYSA-N

Cite this record

CBID:287042 http://www.chembase.cn/molecule-287042.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(methoxymethyl)phenol
IUPAC Traditional name
4-(methoxymethyl)phenol
Synonyms
4-(Methoxymethyl)phenol
CAS Number
5355-17-9
MDL Number
MFCD00020186
PubChem SID
180672573
PubChem CID
79310

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 79310 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.476088  H Acceptors
H Donor LogD (pH = 5.5) 1.5454116 
LogD (pH = 7.4) 1.5418487  Log P 1.5454572 
Molar Refractivity 39.606 cm3 Polarizability 15.298798 Å3
Polar Surface Area 29.46 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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