1-[bis(4-chlorophenyl)methoxy]-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol;hydrochloride

C22H28Cl3NO3 — CID 12006232

IUPAC1-[bis(4-chlorophenyl)methoxy]-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol;hydrochloride
SMILESCC1CN(CC(O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC(C)O1.Cl
InChIInChI=1S/C22H27Cl2NO3.ClH/c1-15-11-25(12-16(2)28-15)13-21(26)14-27-22(17-3-7-19(23)8-4-17)18-5-9-20(24)10-6-18;/h3-10,15-16,21-22,26H,11-14H2,1-2H3;1H
InChIKeyKTEHEGYQSPUAOW-UHFFFAOYSA-N
MW460.83 g/mol
LogP4.99
Rot. Bonds7

About 1-[bis(4-chlorophenyl)methoxy]-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol;hydrochloride

1-[bis(4-chlorophenyl)methoxy]-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol;hydrochloride (PubChem CID 12006232) has the molecular formula C22H28Cl3NO3 and a molecular weight of 460.83 g/mol. Its IUPAC name is 1-[bis(4-chlorophenyl)methoxy]-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-[bis(4-chlorophenyl)methoxy]-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol;hydrochloride
PubChem CID12006232
Molecular FormulaC22H28Cl3NO3
Molecular Weight460.83 g/mol
Exact Mass459.11
IUPAC Name1-[bis(4-chlorophenyl)methoxy]-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol;hydrochloride
SMILESCC1CN(CC(O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC(C)O1.Cl
InChIInChI=1S/C22H27Cl2NO3.ClH/c1-15-11-25(12-16(2)28-15)13-21(26)14-27-22(17-3-7-19(23)8-4-17)18-5-9-20(24)10-6-18;/h3-10,15-16,21-22,26H,11-14H2,1-2H3;1H
InChIKeyKTEHEGYQSPUAOW-UHFFFAOYSA-N
XLogP4.99
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.83
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[bis(4-chlorophenyl)methoxy]-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol;hydrochloride 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 1-[bis(4-chlorophenyl)methoxy]-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol;hydrochloride?
The IUPAC name of 1-[bis(4-chlorophenyl)methoxy]-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol;hydrochloride (CID 12006232) is 1-[bis(4-chlorophenyl)methoxy]-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-[bis(4-chlorophenyl)methoxy]-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol;hydrochloride?
The canonical SMILES for 1-[bis(4-chlorophenyl)methoxy]-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol;hydrochloride is CC1CN(CC(O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC(C)O1.Cl.
What is the InChIKey of 1-[bis(4-chlorophenyl)methoxy]-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol;hydrochloride?
The InChIKey is KTEHEGYQSPUAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27Cl2NO3.ClH/c1-15-11-25(12-16(2)28-15)13-21(26)14-27-22(17-3-7-19(23)8-4-17)18-5-9-20(24)10-6-18;/h3-10,15-16,21-22,26H,11-14H2,1-2H3;1H.
What are the key properties of 1-[bis(4-chlorophenyl)methoxy]-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol;hydrochloride?
1-[bis(4-chlorophenyl)methoxy]-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol;hydrochloride has a molecular weight of 460.83 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(4-chlorophenyl)methoxy]-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol;hydrochloride is sourced from PubChem (CID 12006232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).