dibenzyl-[(2R)-3-[bis(4-chlorophenyl)methoxy]-2-hydroxypropyl]azanium

C30H30Cl2NO2+ — CID 2327881

IUPACdibenzyl-[(2R)-3-[bis(4-chlorophenyl)methoxy]-2-hydroxypropyl]azanium
SMILESO[C@@H](COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C[NH+](Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C30H29Cl2NO2/c31-27-15-11-25(12-16-27)30(26-13-17-28(32)18-14-26)35-22-29(34)21-33(19-23-7-3-1-4-8-23)20-24-9-5-2-6-10-24/h1-18,29-30,34H,19-22H2/p+1/t29-/m1/s1
InChIKeyZFCISOLEDSXKAK-GDLZYMKVSA-O
MW507.48 g/mol
LogP5.75
Rot. Bonds11

About dibenzyl-[(2R)-3-[bis(4-chlorophenyl)methoxy]-2-hydroxypropyl]azanium

dibenzyl-[(2R)-3-[bis(4-chlorophenyl)methoxy]-2-hydroxypropyl]azanium (PubChem CID 2327881) has the molecular formula C30H30Cl2NO2+ and a molecular weight of 507.48 g/mol. Its IUPAC name is dibenzyl-[(2R)-3-[bis(4-chlorophenyl)methoxy]-2-hydroxypropyl]azanium.

Molecular Properties

Compound Namedibenzyl-[(2R)-3-[bis(4-chlorophenyl)methoxy]-2-hydroxypropyl]azanium
PubChem CID2327881
Molecular FormulaC30H30Cl2NO2+
Molecular Weight507.48 g/mol
Exact Mass506.16
IUPAC Namedibenzyl-[(2R)-3-[bis(4-chlorophenyl)methoxy]-2-hydroxypropyl]azanium
SMILESO[C@@H](COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C[NH+](Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C30H29Cl2NO2/c31-27-15-11-25(12-16-27)30(26-13-17-28(32)18-14-26)35-22-29(34)21-33(19-23-7-3-1-4-8-23)20-24-9-5-2-6-10-24/h1-18,29-30,34H,19-22H2/p+1/t29-/m1/s1
InChIKeyZFCISOLEDSXKAK-GDLZYMKVSA-O
XLogP5.75
TPSA33.90 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.48
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze dibenzyl-[(2R)-3-[bis(4-chlorophenyl)methoxy]-2-hydroxypropyl]azanium with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dibenzyl-[(2R)-3-[bis(4-chlorophenyl)methoxy]-2-hydroxypropyl]azanium?
The IUPAC name of dibenzyl-[(2R)-3-[bis(4-chlorophenyl)methoxy]-2-hydroxypropyl]azanium (CID 2327881) is dibenzyl-[(2R)-3-[bis(4-chlorophenyl)methoxy]-2-hydroxypropyl]azanium.
What is the SMILES notation for dibenzyl-[(2R)-3-[bis(4-chlorophenyl)methoxy]-2-hydroxypropyl]azanium?
The canonical SMILES for dibenzyl-[(2R)-3-[bis(4-chlorophenyl)methoxy]-2-hydroxypropyl]azanium is O[C@@H](COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C[NH+](Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of dibenzyl-[(2R)-3-[bis(4-chlorophenyl)methoxy]-2-hydroxypropyl]azanium?
The InChIKey is ZFCISOLEDSXKAK-GDLZYMKVSA-O. The full InChI is InChI=1S/C30H29Cl2NO2/c31-27-15-11-25(12-16-27)30(26-13-17-28(32)18-14-26)35-22-29(34)21-33(19-23-7-3-1-4-8-23)20-24-9-5-2-6-10-24/h1-18,29-30,34H,19-22H2/p+1/t29-/m1/s1.
What are the key properties of dibenzyl-[(2R)-3-[bis(4-chlorophenyl)methoxy]-2-hydroxypropyl]azanium?
dibenzyl-[(2R)-3-[bis(4-chlorophenyl)methoxy]-2-hydroxypropyl]azanium has a molecular weight of 507.48 g/mol, XLogP of 5.75, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzyl-[(2R)-3-[bis(4-chlorophenyl)methoxy]-2-hydroxypropyl]azanium is sourced from PubChem (CID 2327881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).