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365564-10-9 molecular structure
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2-(3,4-dimethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

ChemBase ID: 811302
Molecular Formular: C14H21BO4
Molecular Mass: 264.12514
Monoisotopic Mass: 264.15328955
SMILES and InChIs

SMILES:
CC1(C)OB(OC1(C)C)c1cc(c(cc1)OC)OC
Canonical SMILES:
COc1cc(ccc1OC)B1OC(C(O1)(C)C)(C)C
InChI:
InChI=1S/C14H21BO4/c1-13(2)14(3,4)19-15(18-13)10-7-8-11(16-5)12(9-10)17-6/h7-9H,1-6H3
InChIKey:
QPWUFMRNTUHMJD-UHFFFAOYSA-N

Cite this record

CBID:811302 http://www.chembase.cn/molecule-811302.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(3,4-dimethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
IUPAC Traditional name
2-(3,4-dimethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Synonyms
3,4-DIMETHOXYPHENYLBORONIC ACID PINACOL ESTER
CAS Number
365564-10-9

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O30493 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O30493 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.395  LogD (pH = 7.4) 3.395 
Log P 3.395  Molar Refractivity 68.6395 cm3
Polarizability 29.0346 Å3 Polar Surface Area 36.92 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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