tris[4-(methoxymethyl)phenyl] borate

C24H27BO6 — CID 70231654

IUPACtris[4-(methoxymethyl)phenyl] borate
SMILESCOCc1ccc(OB(Oc2ccc(COC)cc2)Oc2ccc(COC)cc2)cc1
InChIInChI=1S/C24H27BO6/c1-26-16-19-4-10-22(11-5-19)29-25(30-23-12-6-20(7-13-23)17-27-2)31-24-14-8-21(9-15-24)18-28-3/h4-15H,16-18H2,1-3H3
InChIKeyFISDUJWNMBXONV-UHFFFAOYSA-N
MW422.29 g/mol
LogP4.65
Rot. Bonds12

About tris[4-(methoxymethyl)phenyl] borate

tris[4-(methoxymethyl)phenyl] borate (PubChem CID 70231654) has the molecular formula C24H27BO6 and a molecular weight of 422.29 g/mol. Its IUPAC name is tris[4-(methoxymethyl)phenyl] borate.

Molecular Properties

Compound Nametris[4-(methoxymethyl)phenyl] borate
PubChem CID70231654
Molecular FormulaC24H27BO6
Molecular Weight422.29 g/mol
Exact Mass422.19
IUPAC Nametris[4-(methoxymethyl)phenyl] borate
SMILESCOCc1ccc(OB(Oc2ccc(COC)cc2)Oc2ccc(COC)cc2)cc1
InChIInChI=1S/C24H27BO6/c1-26-16-19-4-10-22(11-5-19)29-25(30-23-12-6-20(7-13-23)17-27-2)31-24-14-8-21(9-15-24)18-28-3/h4-15H,16-18H2,1-3H3
InChIKeyFISDUJWNMBXONV-UHFFFAOYSA-N
XLogP4.65
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.29
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(methoxymethoxy)-4-(methoxymethyl)benzene
CID 59017141
1-(methoxymethyl)-4-[[4-(methoxymethyl)phenyl]methoxymethyl]benzene
CID 21396720
1-ethyl-4-[4-(methoxymethyl)phenoxy]benzene
CID 170064957
1-(methoxymethyl)-4-[[4-(methoxymethyl)phenyl]methoxymethyl]benzene;hydrochloride
CID 67583384
tris[4-(aminomethyl)phenyl] borate;hydrochloride
CID 156901124
azane;1-(methoxymethyl)-4-methylbenzene
CID 175555359
methane;1-(methoxymethyl)-4-methylbenzene
CID 158294039
isocyanic acid;1-methoxy-4-(methoxymethyl)benzene
CID 88803383
[4-(methoxymethyl)phenoxy]methanone;rhenium
CID 155685310
1,4-bis(methoxymethyl)benzene;2,5-dimethoxy-2,5-dimethylhexane
CID 159228016
[4-(methoxymethyl)phenyl]methanamine;dihydrochloride
CID 133054354
methoxymethylbenzene;vanadium
CID 167445376

Frequently Asked Questions

What is the IUPAC name of tris[4-(methoxymethyl)phenyl] borate?
The IUPAC name of tris[4-(methoxymethyl)phenyl] borate (CID 70231654) is tris[4-(methoxymethyl)phenyl] borate.
What is the SMILES notation for tris[4-(methoxymethyl)phenyl] borate?
The canonical SMILES for tris[4-(methoxymethyl)phenyl] borate is COCc1ccc(OB(Oc2ccc(COC)cc2)Oc2ccc(COC)cc2)cc1.
What is the InChIKey of tris[4-(methoxymethyl)phenyl] borate?
The InChIKey is FISDUJWNMBXONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27BO6/c1-26-16-19-4-10-22(11-5-19)29-25(30-23-12-6-20(7-13-23)17-27-2)31-24-14-8-21(9-15-24)18-28-3/h4-15H,16-18H2,1-3H3.
What are the key properties of tris[4-(methoxymethyl)phenyl] borate?
tris[4-(methoxymethyl)phenyl] borate has a molecular weight of 422.29 g/mol, XLogP of 4.65, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris[4-(methoxymethyl)phenyl] borate is sourced from PubChem (CID 70231654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).