1-morpholin-4-yl-2,3-diphenyloctan-3-ol;hydrochloride

C24H34ClNO2 — CID 24747998

IUPAC1-morpholin-4-yl-2,3-diphenyloctan-3-ol;hydrochloride
SMILESCCCCCC(O)(c1ccccc1)C(CN1CCOCC1)c1ccccc1.Cl
InChIInChI=1S/C24H33NO2.ClH/c1-2-3-10-15-24(26,22-13-8-5-9-14-22)23(21-11-6-4-7-12-21)20-25-16-18-27-19-17-25;/h4-9,11-14,23,26H,2-3,10,15-20H2,1H3;1H
InChIKeyLESRJBCVPLMQJX-UHFFFAOYSA-N
MW403.99 g/mol
LogP4.99
Rot. Bonds9

About 1-morpholin-4-yl-2,3-diphenyloctan-3-ol;hydrochloride

1-morpholin-4-yl-2,3-diphenyloctan-3-ol;hydrochloride (PubChem CID 24747998) has the molecular formula C24H34ClNO2 and a molecular weight of 403.99 g/mol. Its IUPAC name is 1-morpholin-4-yl-2,3-diphenyloctan-3-ol;hydrochloride.

Molecular Properties

Compound Name1-morpholin-4-yl-2,3-diphenyloctan-3-ol;hydrochloride
PubChem CID24747998
Molecular FormulaC24H34ClNO2
Molecular Weight403.99 g/mol
Exact Mass403.23
IUPAC Name1-morpholin-4-yl-2,3-diphenyloctan-3-ol;hydrochloride
SMILESCCCCCC(O)(c1ccccc1)C(CN1CCOCC1)c1ccccc1.Cl
InChIInChI=1S/C24H33NO2.ClH/c1-2-3-10-15-24(26,22-13-8-5-9-14-22)23(21-11-6-4-7-12-21)20-25-16-18-27-19-17-25;/h4-9,11-14,23,26H,2-3,10,15-20H2,1H3;1H
InChIKeyLESRJBCVPLMQJX-UHFFFAOYSA-N
XLogP4.99
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.99
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2,3-diphenyloctan-3-ol;hydrochloride?
The IUPAC name of 1-morpholin-4-yl-2,3-diphenyloctan-3-ol;hydrochloride (CID 24747998) is 1-morpholin-4-yl-2,3-diphenyloctan-3-ol;hydrochloride.
What is the SMILES notation for 1-morpholin-4-yl-2,3-diphenyloctan-3-ol;hydrochloride?
The canonical SMILES for 1-morpholin-4-yl-2,3-diphenyloctan-3-ol;hydrochloride is CCCCCC(O)(c1ccccc1)C(CN1CCOCC1)c1ccccc1.Cl.
What is the InChIKey of 1-morpholin-4-yl-2,3-diphenyloctan-3-ol;hydrochloride?
The InChIKey is LESRJBCVPLMQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO2.ClH/c1-2-3-10-15-24(26,22-13-8-5-9-14-22)23(21-11-6-4-7-12-21)20-25-16-18-27-19-17-25;/h4-9,11-14,23,26H,2-3,10,15-20H2,1H3;1H.
What are the key properties of 1-morpholin-4-yl-2,3-diphenyloctan-3-ol;hydrochloride?
1-morpholin-4-yl-2,3-diphenyloctan-3-ol;hydrochloride has a molecular weight of 403.99 g/mol, XLogP of 4.99, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2,3-diphenyloctan-3-ol;hydrochloride is sourced from PubChem (CID 24747998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).