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1218790-19-2 molecular structure
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2-(3-methoxy-4,5-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

ChemBase ID: 291124
Molecular Formular: C15H23BO3
Molecular Mass: 262.15232
Monoisotopic Mass: 262.174025
SMILES and InChIs

SMILES:
CC1(C)C(C)(C)OB(c2cc(C)c(C)c(OC)c2)O1
Canonical SMILES:
COc1cc(cc(c1C)C)B1OC(C(O1)(C)C)(C)C
InChI:
InChI=1S/C15H23BO3/c1-10-8-12(9-13(17-7)11(10)2)16-18-14(3,4)15(5,6)19-16/h8-9H,1-7H3
InChIKey:
FJEBIFLEIUSKJT-UHFFFAOYSA-N

Cite this record

CBID:291124 http://www.chembase.cn/molecule-291124.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(3-methoxy-4,5-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
IUPAC Traditional name
2-(3-methoxy-4,5-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Synonyms
2-(3-Methoxy-4,5-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CAS Number
1218790-19-2
MDL Number
MFCD13195769
PubChem SID
180676655
PubChem CID
53217172

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
Bide Pharmatech
BD230775 Please log in.
Data Source Data ID
PubChem 53217172 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.5821  LogD (pH = 7.4) 4.5821 
Log P 4.5821  Molar Refractivity 72.2587 cm3
Polarizability 30.048918 Å3 Polar Surface Area 27.69 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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