tris(2-propan-2-yloxyphenyl)borane

C27H33BO3 — CID 5017314

IUPACtris(2-propan-2-yloxyphenyl)borane
SMILESCC(C)Oc1ccccc1B(c1ccccc1OC(C)C)c1ccccc1OC(C)C
InChIInChI=1S/C27H33BO3/c1-19(2)29-25-16-10-7-13-22(25)28(23-14-8-11-17-26(23)30-20(3)4)24-15-9-12-18-27(24)31-21(5)6/h7-21H,1-6H3
InChIKeyYTUNFWQOEQKSTE-UHFFFAOYSA-N
MW416.37 g/mol
LogP4.56
Rot. Bonds9

About tris(2-propan-2-yloxyphenyl)borane

tris(2-propan-2-yloxyphenyl)borane (PubChem CID 5017314) has the molecular formula C27H33BO3 and a molecular weight of 416.37 g/mol. Its IUPAC name is tris(2-propan-2-yloxyphenyl)borane.

Molecular Properties

Compound Nametris(2-propan-2-yloxyphenyl)borane
PubChem CID5017314
Molecular FormulaC27H33BO3
Molecular Weight416.37 g/mol
Exact Mass416.25
IUPAC Nametris(2-propan-2-yloxyphenyl)borane
SMILESCC(C)Oc1ccccc1B(c1ccccc1OC(C)C)c1ccccc1OC(C)C
InChIInChI=1S/C27H33BO3/c1-19(2)29-25-16-10-7-13-22(25)28(23-14-8-11-17-26(23)30-20(3)4)24-15-9-12-18-27(24)31-21(5)6/h7-21H,1-6H3
InChIKeyYTUNFWQOEQKSTE-UHFFFAOYSA-N
XLogP4.56
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.37
LogP ≤ 54.56
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-fluoro-3-propan-2-yloxyphenyl)boronic acid
CID 46738972
1-chloro-2-propan-2-yloxybenzene;ethane
CID 143368114
2-propan-2-yloxyaniline;hydrochloride
CID 24779669
carbonic acid;bis(2-propan-2-yloxybenzoic acid)
CID 66629297
2-bromo-1,3-di(propan-2-yloxy)benzene
CID 102493711
trifluoro-(2-propan-2-yloxyphenyl)boranuide
CID 63677239
potassium trifluoro-(2-propan-2-yloxyphenyl)boranuide
CID 63677238
1-methyl-2-propan-2-yloxybenzene;trichlororuthenium
CID 175208112
1-(2-propan-2-yloxyphenyl)propane-1,2-diol
CID 103452569
1-cyclopropyl-2-propan-2-yloxybenzene
CID 121339492
1-(methoxymethyl)-2-propan-2-yloxybenzene
CID 154665726
1-methyl-3-(2-propan-2-yloxyphenyl)imidazolidin-2-one
CID 117026499

Frequently Asked Questions

What is the IUPAC name of tris(2-propan-2-yloxyphenyl)borane?
The IUPAC name of tris(2-propan-2-yloxyphenyl)borane (CID 5017314) is tris(2-propan-2-yloxyphenyl)borane.
What is the SMILES notation for tris(2-propan-2-yloxyphenyl)borane?
The canonical SMILES for tris(2-propan-2-yloxyphenyl)borane is CC(C)Oc1ccccc1B(c1ccccc1OC(C)C)c1ccccc1OC(C)C.
What is the InChIKey of tris(2-propan-2-yloxyphenyl)borane?
The InChIKey is YTUNFWQOEQKSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33BO3/c1-19(2)29-25-16-10-7-13-22(25)28(23-14-8-11-17-26(23)30-20(3)4)24-15-9-12-18-27(24)31-21(5)6/h7-21H,1-6H3.
What are the key properties of tris(2-propan-2-yloxyphenyl)borane?
tris(2-propan-2-yloxyphenyl)borane has a molecular weight of 416.37 g/mol, XLogP of 4.56, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-propan-2-yloxyphenyl)borane is sourced from PubChem (CID 5017314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).