2,3-bis(4-chlorophenyl)-1-morpholin-4-ylhexan-3-ol;hydrochloride

C22H28Cl3NO2 — CID 24747966

IUPAC2,3-bis(4-chlorophenyl)-1-morpholin-4-ylhexan-3-ol;hydrochloride
SMILESCCCC(O)(c1ccc(Cl)cc1)C(CN1CCOCC1)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C22H27Cl2NO2.ClH/c1-2-11-22(26,18-5-9-20(24)10-6-18)21(16-25-12-14-27-15-13-25)17-3-7-19(23)8-4-17;/h3-10,21,26H,2,11-16H2,1H3;1H
InChIKeyUJLNNGDADLTTTJ-UHFFFAOYSA-N
MW444.83 g/mol
LogP5.52
Rot. Bonds7

About 2,3-bis(4-chlorophenyl)-1-morpholin-4-ylhexan-3-ol;hydrochloride

2,3-bis(4-chlorophenyl)-1-morpholin-4-ylhexan-3-ol;hydrochloride (PubChem CID 24747966) has the molecular formula C22H28Cl3NO2 and a molecular weight of 444.83 g/mol. Its IUPAC name is 2,3-bis(4-chlorophenyl)-1-morpholin-4-ylhexan-3-ol;hydrochloride.

Molecular Properties

Compound Name2,3-bis(4-chlorophenyl)-1-morpholin-4-ylhexan-3-ol;hydrochloride
PubChem CID24747966
Molecular FormulaC22H28Cl3NO2
Molecular Weight444.83 g/mol
Exact Mass443.12
IUPAC Name2,3-bis(4-chlorophenyl)-1-morpholin-4-ylhexan-3-ol;hydrochloride
SMILESCCCC(O)(c1ccc(Cl)cc1)C(CN1CCOCC1)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C22H27Cl2NO2.ClH/c1-2-11-22(26,18-5-9-20(24)10-6-18)21(16-25-12-14-27-15-13-25)17-3-7-19(23)8-4-17;/h3-10,21,26H,2,11-16H2,1H3;1H
InChIKeyUJLNNGDADLTTTJ-UHFFFAOYSA-N
XLogP5.52
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.83
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-chlorophenyl)-1-morpholin-4-ylhexan-3-ol;hydrochloride?
The IUPAC name of 2,3-bis(4-chlorophenyl)-1-morpholin-4-ylhexan-3-ol;hydrochloride (CID 24747966) is 2,3-bis(4-chlorophenyl)-1-morpholin-4-ylhexan-3-ol;hydrochloride.
What is the SMILES notation for 2,3-bis(4-chlorophenyl)-1-morpholin-4-ylhexan-3-ol;hydrochloride?
The canonical SMILES for 2,3-bis(4-chlorophenyl)-1-morpholin-4-ylhexan-3-ol;hydrochloride is CCCC(O)(c1ccc(Cl)cc1)C(CN1CCOCC1)c1ccc(Cl)cc1.Cl.
What is the InChIKey of 2,3-bis(4-chlorophenyl)-1-morpholin-4-ylhexan-3-ol;hydrochloride?
The InChIKey is UJLNNGDADLTTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27Cl2NO2.ClH/c1-2-11-22(26,18-5-9-20(24)10-6-18)21(16-25-12-14-27-15-13-25)17-3-7-19(23)8-4-17;/h3-10,21,26H,2,11-16H2,1H3;1H.
What are the key properties of 2,3-bis(4-chlorophenyl)-1-morpholin-4-ylhexan-3-ol;hydrochloride?
2,3-bis(4-chlorophenyl)-1-morpholin-4-ylhexan-3-ol;hydrochloride has a molecular weight of 444.83 g/mol, XLogP of 5.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-chlorophenyl)-1-morpholin-4-ylhexan-3-ol;hydrochloride is sourced from PubChem (CID 24747966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).