tetrakis[(4-methoxyphenyl)methoxy]boranuide

C32H36BO8- — CID 101479355

IUPACtetrakis[(4-methoxyphenyl)methoxy]boranuide
SMILESCOc1ccc(CO[B-](OCc2ccc(OC)cc2)(OCc2ccc(OC)cc2)OCc2ccc(OC)cc2)cc1
InChIInChI=1S/C32H36BO8/c1-34-29-13-5-25(6-14-29)21-38-33(39-22-26-7-15-30(35-2)16-8-26,40-23-27-9-17-31(36-3)18-10-27)41-24-28-11-19-32(37-4)20-12-28/h5-20H,21-24H2,1-4H3/q-1
InChIKeyXJPZTBVREYKYLL-UHFFFAOYSA-N
MW559.44 g/mol
LogP6.32
Rot. Bonds16

About tetrakis[(4-methoxyphenyl)methoxy]boranuide

tetrakis[(4-methoxyphenyl)methoxy]boranuide (PubChem CID 101479355) has the molecular formula C32H36BO8- and a molecular weight of 559.44 g/mol. Its IUPAC name is tetrakis[(4-methoxyphenyl)methoxy]boranuide.

Molecular Properties

Compound Nametetrakis[(4-methoxyphenyl)methoxy]boranuide
PubChem CID101479355
Molecular FormulaC32H36BO8-
Molecular Weight559.44 g/mol
Exact Mass559.25
IUPAC Nametetrakis[(4-methoxyphenyl)methoxy]boranuide
SMILESCOc1ccc(CO[B-](OCc2ccc(OC)cc2)(OCc2ccc(OC)cc2)OCc2ccc(OC)cc2)cc1
InChIInChI=1S/C32H36BO8/c1-34-29-13-5-25(6-14-29)21-38-33(39-22-26-7-15-30(35-2)16-8-26,40-23-27-9-17-31(36-3)18-10-27)41-24-28-11-19-32(37-4)20-12-28/h5-20H,21-24H2,1-4H3/q-1
InChIKeyXJPZTBVREYKYLL-UHFFFAOYSA-N
XLogP6.32
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.44
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze tetrakis[(4-methoxyphenyl)methoxy]boranuide 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

(4-methoxyphenyl)methyl hypobromite
CID 166766888
methane;O-[(4-methoxyphenyl)methyl]hydroxylamine
CID 142048761
1-methoxy-4-[(2-methylpropan-2-yl)oxymethyl]benzene
CID 11206354
potassium;1-(methanidyloxymethyl)-4-methoxybenzene;tritetrafluoroborate
CID 174052012
(4-methoxyphenyl)methyl silylformate
CID 123289214
1-[[bis[(4-methoxyphenyl)methoxy]methoxy-[(4-methoxyphenyl)methoxy]methoxy]methyl]-4-methoxybenzene
CID 66849270
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
1-methoxy-4-[[(E)-4-[(4-methoxyphenyl)methoxy]but-2-enoxy]methyl]benzene
CID 14814212
CID 175604529
CID 175604529
(4-methoxyphenyl)methanol
CID 7738
isocyanic acid;1-methoxy-4-(methoxymethyl)benzene
CID 88803383
1-methoxy-4-[2-(2-methoxyethoxy)ethoxymethyl]benzene
CID 102074732

Frequently Asked Questions

What is the IUPAC name of tetrakis[(4-methoxyphenyl)methoxy]boranuide?
The IUPAC name of tetrakis[(4-methoxyphenyl)methoxy]boranuide (CID 101479355) is tetrakis[(4-methoxyphenyl)methoxy]boranuide.
What is the SMILES notation for tetrakis[(4-methoxyphenyl)methoxy]boranuide?
The canonical SMILES for tetrakis[(4-methoxyphenyl)methoxy]boranuide is COc1ccc(CO[B-](OCc2ccc(OC)cc2)(OCc2ccc(OC)cc2)OCc2ccc(OC)cc2)cc1.
What is the InChIKey of tetrakis[(4-methoxyphenyl)methoxy]boranuide?
The InChIKey is XJPZTBVREYKYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36BO8/c1-34-29-13-5-25(6-14-29)21-38-33(39-22-26-7-15-30(35-2)16-8-26,40-23-27-9-17-31(36-3)18-10-27)41-24-28-11-19-32(37-4)20-12-28/h5-20H,21-24H2,1-4H3/q-1.
What are the key properties of tetrakis[(4-methoxyphenyl)methoxy]boranuide?
tetrakis[(4-methoxyphenyl)methoxy]boranuide has a molecular weight of 559.44 g/mol, XLogP of 6.32, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis[(4-methoxyphenyl)methoxy]boranuide is sourced from PubChem (CID 101479355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).