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

C23H30Cl3NO2 — CID 45489340

IUPAC2,3-bis(4-chlorophenyl)-1-morpholin-4-ylheptan-3-ol;hydrochloride
SMILESCCCCC(O)(c1ccc(Cl)cc1)C(CN1CCOCC1)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C23H29Cl2NO2.ClH/c1-2-3-12-23(27,19-6-10-21(25)11-7-19)22(17-26-13-15-28-16-14-26)18-4-8-20(24)9-5-18;/h4-11,22,27H,2-3,12-17H2,1H3;1H
InChIKeyISAYOUXPIUZHEB-UHFFFAOYSA-N
MW458.86 g/mol
LogP5.91
Rot. Bonds8

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

2,3-bis(4-chlorophenyl)-1-morpholin-4-ylheptan-3-ol;hydrochloride (PubChem CID 45489340) has the molecular formula C23H30Cl3NO2 and a molecular weight of 458.86 g/mol. Its IUPAC name is 2,3-bis(4-chlorophenyl)-1-morpholin-4-ylheptan-3-ol;hydrochloride.

Molecular Properties

Compound Name2,3-bis(4-chlorophenyl)-1-morpholin-4-ylheptan-3-ol;hydrochloride
PubChem CID45489340
Molecular FormulaC23H30Cl3NO2
Molecular Weight458.86 g/mol
Exact Mass457.13
IUPAC Name2,3-bis(4-chlorophenyl)-1-morpholin-4-ylheptan-3-ol;hydrochloride
SMILESCCCCC(O)(c1ccc(Cl)cc1)C(CN1CCOCC1)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C23H29Cl2NO2.ClH/c1-2-3-12-23(27,19-6-10-21(25)11-7-19)22(17-26-13-15-28-16-14-26)18-4-8-20(24)9-5-18;/h4-11,22,27H,2-3,12-17H2,1H3;1H
InChIKeyISAYOUXPIUZHEB-UHFFFAOYSA-N
XLogP5.91
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.86
LogP ≤ 55.91
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-ylheptan-3-ol;hydrochloride?
The IUPAC name of 2,3-bis(4-chlorophenyl)-1-morpholin-4-ylheptan-3-ol;hydrochloride (CID 45489340) is 2,3-bis(4-chlorophenyl)-1-morpholin-4-ylheptan-3-ol;hydrochloride.
What is the SMILES notation for 2,3-bis(4-chlorophenyl)-1-morpholin-4-ylheptan-3-ol;hydrochloride?
The canonical SMILES for 2,3-bis(4-chlorophenyl)-1-morpholin-4-ylheptan-3-ol;hydrochloride is CCCCC(O)(c1ccc(Cl)cc1)C(CN1CCOCC1)c1ccc(Cl)cc1.Cl.
What is the InChIKey of 2,3-bis(4-chlorophenyl)-1-morpholin-4-ylheptan-3-ol;hydrochloride?
The InChIKey is ISAYOUXPIUZHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29Cl2NO2.ClH/c1-2-3-12-23(27,19-6-10-21(25)11-7-19)22(17-26-13-15-28-16-14-26)18-4-8-20(24)9-5-18;/h4-11,22,27H,2-3,12-17H2,1H3;1H.
What are the key properties of 2,3-bis(4-chlorophenyl)-1-morpholin-4-ylheptan-3-ol;hydrochloride?
2,3-bis(4-chlorophenyl)-1-morpholin-4-ylheptan-3-ol;hydrochloride has a molecular weight of 458.86 g/mol, XLogP of 5.91, 8 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-ylheptan-3-ol;hydrochloride is sourced from PubChem (CID 45489340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).