2-(2-methoxyphenyl)-4,5-dimethyl-1,3,2-dioxaborolane

C11H15BO3 — CID 10750765

IUPAC2-(2-methoxyphenyl)-4,5-dimethyl-1,3,2-dioxaborolane
SMILESCOc1ccccc1B1OC(C)C(C)O1
InChIInChI=1S/C11H15BO3/c1-8-9(2)15-12(14-8)10-6-4-5-7-11(10)13-3/h4-9H,1-3H3
InChIKeyVKORXARJKQUYPC-UHFFFAOYSA-N
MW206.05 g/mol
LogP1.21
Rot. Bonds2

About 2-(2-methoxyphenyl)-4,5-dimethyl-1,3,2-dioxaborolane

2-(2-methoxyphenyl)-4,5-dimethyl-1,3,2-dioxaborolane (PubChem CID 10750765) has the molecular formula C11H15BO3 and a molecular weight of 206.05 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-4,5-dimethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-4,5-dimethyl-1,3,2-dioxaborolane
PubChem CID10750765
Molecular FormulaC11H15BO3
Molecular Weight206.05 g/mol
Exact Mass206.11
IUPAC Name2-(2-methoxyphenyl)-4,5-dimethyl-1,3,2-dioxaborolane
SMILESCOc1ccccc1B1OC(C)C(C)O1
InChIInChI=1S/C11H15BO3/c1-8-9(2)15-12(14-8)10-6-4-5-7-11(10)13-3/h4-9H,1-3H3
InChIKeyVKORXARJKQUYPC-UHFFFAOYSA-N
XLogP1.21
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 ≤ 51.21
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-(2-methoxyphenyl)-1,3,2-dioxaborolane
CID 11344322
4-(2-methoxyphenyl)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane
CID 20612674
(1R,2R,6S,8R)-4-(2-methoxyphenyl)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane
CID 91272784
(1S,2S,6S,8S)-4-(2-methoxyphenyl)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane
CID 142649118
1,2-dimethoxybenzene;dihydrochloride
CID 19834650
azane;1,2-dimethoxybenzene
CID 174437926
1,2-dimethoxybenzene;molecular nitrogen;hydrochloride
CID 173306958
tetrakis(2-methoxyphenyl)plumbane
CID 4691505
2-(2-bromo-3-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 91800309
(2R)-2-methyl-3-(2,4,5-trimethoxyphenyl)oxirane
CID 165363851
1-methoxy-2-methyliodanuidyloxybenzene
CID 163592566
1-methoxy-2-[4-[4-(2-methoxyphenyl)phenyl]phenyl]benzene
CID 86116478

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-4,5-dimethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(2-methoxyphenyl)-4,5-dimethyl-1,3,2-dioxaborolane (CID 10750765) is 2-(2-methoxyphenyl)-4,5-dimethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(2-methoxyphenyl)-4,5-dimethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(2-methoxyphenyl)-4,5-dimethyl-1,3,2-dioxaborolane is COc1ccccc1B1OC(C)C(C)O1.
What is the InChIKey of 2-(2-methoxyphenyl)-4,5-dimethyl-1,3,2-dioxaborolane?
The InChIKey is VKORXARJKQUYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BO3/c1-8-9(2)15-12(14-8)10-6-4-5-7-11(10)13-3/h4-9H,1-3H3.
What are the key properties of 2-(2-methoxyphenyl)-4,5-dimethyl-1,3,2-dioxaborolane?
2-(2-methoxyphenyl)-4,5-dimethyl-1,3,2-dioxaborolane has a molecular weight of 206.05 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-4,5-dimethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 10750765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).