2-(2,6-dichloro-3,5-dimethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborinane

C15H21BCl2O4 — CID 174827759

IUPAC2-(2,6-dichloro-3,5-dimethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborinane
SMILESCOc1cc(OC)c(Cl)c(B2OCC(C)(C)C(C)(C)O2)c1Cl
InChIInChI=1S/C15H21BCl2O4/c1-14(2)8-21-16(22-15(14,3)4)11-12(17)9(19-5)7-10(20-6)13(11)18/h7H,8H2,1-6H3
InChIKeyAMLMEWQQGMBKCD-UHFFFAOYSA-N
MW347.05 g/mol
LogP3.56
Rot. Bonds3

About 2-(2,6-dichloro-3,5-dimethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborinane

2-(2,6-dichloro-3,5-dimethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborinane (PubChem CID 174827759) has the molecular formula C15H21BCl2O4 and a molecular weight of 347.05 g/mol. Its IUPAC name is 2-(2,6-dichloro-3,5-dimethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborinane.

Molecular Properties

Compound Name2-(2,6-dichloro-3,5-dimethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborinane
PubChem CID174827759
Molecular FormulaC15H21BCl2O4
Molecular Weight347.05 g/mol
Exact Mass346.09
IUPAC Name2-(2,6-dichloro-3,5-dimethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborinane
SMILESCOc1cc(OC)c(Cl)c(B2OCC(C)(C)C(C)(C)O2)c1Cl
InChIInChI=1S/C15H21BCl2O4/c1-14(2)8-21-16(22-15(14,3)4)11-12(17)9(19-5)7-10(20-6)13(11)18/h7H,8H2,1-6H3
InChIKeyAMLMEWQQGMBKCD-UHFFFAOYSA-N
XLogP3.56
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.05
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2,6-dichloro-3,5-dimethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborinane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-chloro-2,4-dimethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 134715905
4,4,5,5-tetramethyl-2-(2,3,5,6-tetrachlorophenyl)-1,3,2-dioxaborolane
CID 79661640
3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborinan-2-yl)-1,2-oxazole
CID 164884579
5-chloro-3-methoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
CID 123582218
N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborinan-2-yl)pyridin-2-amine
CID 151093134
[4-chloro-2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine
CID 174780510
3-methoxy-5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
CID 170904519
4,4,5,5-tetramethyl-2-[2,4,5-tris(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane
CID 66897544
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborinan-2-yl)-2,3-dihydroinden-1-one
CID 151501634
2-bromo-1,3,5-trimethoxybenzene;4,4,5,5-tetramethyl-2-(2,4,6-trimethoxyphenyl)-1,3,2-dioxaborolane
CID 159386589
4-methoxy-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one
CID 138958564
2-(5-fluoro-2-methoxyphenyl)-5,5-dimethyl-1,3,2-dioxaborinane
CID 53433664

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichloro-3,5-dimethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborinane?
The IUPAC name of 2-(2,6-dichloro-3,5-dimethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborinane (CID 174827759) is 2-(2,6-dichloro-3,5-dimethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborinane.
What is the SMILES notation for 2-(2,6-dichloro-3,5-dimethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborinane?
The canonical SMILES for 2-(2,6-dichloro-3,5-dimethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborinane is COc1cc(OC)c(Cl)c(B2OCC(C)(C)C(C)(C)O2)c1Cl.
What is the InChIKey of 2-(2,6-dichloro-3,5-dimethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborinane?
The InChIKey is AMLMEWQQGMBKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BCl2O4/c1-14(2)8-21-16(22-15(14,3)4)11-12(17)9(19-5)7-10(20-6)13(11)18/h7H,8H2,1-6H3.
What are the key properties of 2-(2,6-dichloro-3,5-dimethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborinane?
2-(2,6-dichloro-3,5-dimethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborinane has a molecular weight of 347.05 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichloro-3,5-dimethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborinane is sourced from PubChem (CID 174827759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).