methoxy-bis(4-methoxy-2,6-dimethylphenyl)borane

C19H25BO3 — CID 642713

IUPACmethoxy-bis(4-methoxy-2,6-dimethylphenyl)borane
SMILESCOB(c1c(C)cc(OC)cc1C)c1c(C)cc(OC)cc1C
InChIInChI=1S/C19H25BO3/c1-12-8-16(21-5)9-13(2)18(12)20(23-7)19-14(3)10-17(22-6)11-15(19)4/h8-11H,1-7H3
InChIKeyCJWJQIVAGRZDQV-UHFFFAOYSA-N
MW312.22 g/mol
LogP2.69
Rot. Bonds5

About methoxy-bis(4-methoxy-2,6-dimethylphenyl)borane

methoxy-bis(4-methoxy-2,6-dimethylphenyl)borane (PubChem CID 642713) has the molecular formula C19H25BO3 and a molecular weight of 312.22 g/mol. Its IUPAC name is methoxy-bis(4-methoxy-2,6-dimethylphenyl)borane.

Molecular Properties

Compound Namemethoxy-bis(4-methoxy-2,6-dimethylphenyl)borane
PubChem CID642713
Molecular FormulaC19H25BO3
Molecular Weight312.22 g/mol
Exact Mass312.19
IUPAC Namemethoxy-bis(4-methoxy-2,6-dimethylphenyl)borane
SMILESCOB(c1c(C)cc(OC)cc1C)c1c(C)cc(OC)cc1C
InChIInChI=1S/C19H25BO3/c1-12-8-16(21-5)9-13(2)18(12)20(23-7)19-14(3)10-17(22-6)11-15(19)4/h8-11H,1-7H3
InChIKeyCJWJQIVAGRZDQV-UHFFFAOYSA-N
XLogP2.69
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.22
LogP ≤ 52.69
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

bis(4-methoxy-2,6-dimethylphenyl)borinic acid
CID 3613563
(4-methoxy-2,6-dimethylphenyl)boronic acid
CID 3716303
bis(4-methoxy-2,6-dimethylphenyl)boranylmethyl-trimethylsilane
CID 14362702
phosphane;1,3,5-trimethoxybenzene
CID 175232895
(4-methoxy-2,6-dimethylphenyl)methanamine
CID 82266532
2-(2-hydroxy-5-methoxy-3-methylphenyl)-4-methoxy-6-methylphenol
CID 59106217
2-(4-methoxy-2,6-dimethylphenyl)-2-methyl-1,3-dioxolane
CID 83958950
2-(4-methoxy-2,6-dimethylphenyl)propan-2-amine
CID 82048609
2-ethoxy-5-methoxy-1,3-dimethylbenzene
CID 130882299
6,13-dimethoxy-15,16-dimethyltricyclo[9.3.1.14,8]hexadeca-1(14),4,6,8(16),11(15),12-hexaene
CID 11985892
1,3-dimethoxy-5-methylbenzene;methane
CID 142906999
1-methoxy-3,5-dimethylbenzene;sulfane
CID 175727345

Frequently Asked Questions

What is the IUPAC name of methoxy-bis(4-methoxy-2,6-dimethylphenyl)borane?
The IUPAC name of methoxy-bis(4-methoxy-2,6-dimethylphenyl)borane (CID 642713) is methoxy-bis(4-methoxy-2,6-dimethylphenyl)borane.
What is the SMILES notation for methoxy-bis(4-methoxy-2,6-dimethylphenyl)borane?
The canonical SMILES for methoxy-bis(4-methoxy-2,6-dimethylphenyl)borane is COB(c1c(C)cc(OC)cc1C)c1c(C)cc(OC)cc1C.
What is the InChIKey of methoxy-bis(4-methoxy-2,6-dimethylphenyl)borane?
The InChIKey is CJWJQIVAGRZDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25BO3/c1-12-8-16(21-5)9-13(2)18(12)20(23-7)19-14(3)10-17(22-6)11-15(19)4/h8-11H,1-7H3.
What are the key properties of methoxy-bis(4-methoxy-2,6-dimethylphenyl)borane?
methoxy-bis(4-methoxy-2,6-dimethylphenyl)borane has a molecular weight of 312.22 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-bis(4-methoxy-2,6-dimethylphenyl)borane is sourced from PubChem (CID 642713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).