2-(4-methoxyphenyl)-4,4-dimethyl-1,3,2-dioxaborolane

C11H15BO3 — CID 172816293

IUPAC2-(4-methoxyphenyl)-4,4-dimethyl-1,3,2-dioxaborolane
SMILESCOc1ccc(B2OCC(C)(C)O2)cc1
InChIInChI=1S/C11H15BO3/c1-11(2)8-14-12(15-11)9-4-6-10(13-3)7-5-9/h4-7H,8H2,1-3H3
InChIKeySVWBCXYGFZQKTF-UHFFFAOYSA-N
MW206.05 g/mol
LogP1.22
Rot. Bonds2

About 2-(4-methoxyphenyl)-4,4-dimethyl-1,3,2-dioxaborolane

2-(4-methoxyphenyl)-4,4-dimethyl-1,3,2-dioxaborolane (PubChem CID 172816293) has the molecular formula C11H15BO3 and a molecular weight of 206.05 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-4,4-dimethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-4,4-dimethyl-1,3,2-dioxaborolane
PubChem CID172816293
Molecular FormulaC11H15BO3
Molecular Weight206.05 g/mol
Exact Mass206.11
IUPAC Name2-(4-methoxyphenyl)-4,4-dimethyl-1,3,2-dioxaborolane
SMILESCOc1ccc(B2OCC(C)(C)O2)cc1
InChIInChI=1S/C11H15BO3/c1-11(2)8-14-12(15-11)9-4-6-10(13-3)7-5-9/h4-7H,8H2,1-3H3
InChIKeySVWBCXYGFZQKTF-UHFFFAOYSA-N
XLogP1.22
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.05
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-[4-(bromomethyl)phenyl]-4,4-dimethyl-1,3,2-dioxaborolane
CID 18987820
1-[3-[[4-(4,4-dimethyl-1,3,2-dioxaborolan-2-yl)phenoxy]methyl]azetidin-1-yl]ethanone
CID 150642684
5-(4,4-dimethyl-1,3,2-dioxaborolan-2-yl)-1-methylindole
CID 132502151
2-[3-(2-methoxyethyl)phenyl]-4,4-dimethyl-1,3,2-dioxaborolane
CID 175441149
4-[4-[4-(4,4-dimethyl-1,3,2-dioxaborolan-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 163522880
4,4-dimethyl-2-(2,3,6-trimethylphenyl)-1,3,2-dioxaborolane
CID 172717739
N-[4-(4,4-dimethyl-1,3,2-dioxaborolan-2-yl)phenyl]sulfonylacetamide;ethane;methanethiol
CID 153332206
14-(4,4-dimethyl-1,3,2-dioxaborolan-2-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene;ethane;ethene
CID 144508346
tert-butyl 4-[[4-(4,4-dimethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperazine-1-carboxylate
CID 70648380
2-(difluoromethoxy)-5-(4,4-dimethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 146958506
2-(4-cyclopentyloxyphenyl)-5,5-dimethyl-1,3,2-dioxaborinane
CID 58452861
7-(4,4-dimethyl-1,3,2-dioxaborolan-2-yl)-1-methylquinoxalin-2-one
CID 175441158

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-4,4-dimethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(4-methoxyphenyl)-4,4-dimethyl-1,3,2-dioxaborolane (CID 172816293) is 2-(4-methoxyphenyl)-4,4-dimethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(4-methoxyphenyl)-4,4-dimethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(4-methoxyphenyl)-4,4-dimethyl-1,3,2-dioxaborolane is COc1ccc(B2OCC(C)(C)O2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-4,4-dimethyl-1,3,2-dioxaborolane?
The InChIKey is SVWBCXYGFZQKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BO3/c1-11(2)8-14-12(15-11)9-4-6-10(13-3)7-5-9/h4-7H,8H2,1-3H3.
What are the key properties of 2-(4-methoxyphenyl)-4,4-dimethyl-1,3,2-dioxaborolane?
2-(4-methoxyphenyl)-4,4-dimethyl-1,3,2-dioxaborolane has a molecular weight of 206.05 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-4,4-dimethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 172816293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).