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

C22H30ClNO2 — CID 24747957

IUPAC1-morpholin-4-yl-2,3-diphenylhexan-3-ol;hydrochloride
SMILESCCCC(O)(c1ccccc1)C(CN1CCOCC1)c1ccccc1.Cl
InChIInChI=1S/C22H29NO2.ClH/c1-2-13-22(24,20-11-7-4-8-12-20)21(19-9-5-3-6-10-19)18-23-14-16-25-17-15-23;/h3-12,21,24H,2,13-18H2,1H3;1H
InChIKeyVCJOHPRQYBGWMM-UHFFFAOYSA-N
MW375.94 g/mol
LogP4.21
Rot. Bonds7

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

1-morpholin-4-yl-2,3-diphenylhexan-3-ol;hydrochloride (PubChem CID 24747957) has the molecular formula C22H30ClNO2 and a molecular weight of 375.94 g/mol. Its IUPAC name is 1-morpholin-4-yl-2,3-diphenylhexan-3-ol;hydrochloride.

Molecular Properties

Compound Name1-morpholin-4-yl-2,3-diphenylhexan-3-ol;hydrochloride
PubChem CID24747957
Molecular FormulaC22H30ClNO2
Molecular Weight375.94 g/mol
Exact Mass375.20
IUPAC Name1-morpholin-4-yl-2,3-diphenylhexan-3-ol;hydrochloride
SMILESCCCC(O)(c1ccccc1)C(CN1CCOCC1)c1ccccc1.Cl
InChIInChI=1S/C22H29NO2.ClH/c1-2-13-22(24,20-11-7-4-8-12-20)21(19-9-5-3-6-10-19)18-23-14-16-25-17-15-23;/h3-12,21,24H,2,13-18H2,1H3;1H
InChIKeyVCJOHPRQYBGWMM-UHFFFAOYSA-N
XLogP4.21
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.94
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2,3-diphenylhexan-3-ol;hydrochloride?
The IUPAC name of 1-morpholin-4-yl-2,3-diphenylhexan-3-ol;hydrochloride (CID 24747957) is 1-morpholin-4-yl-2,3-diphenylhexan-3-ol;hydrochloride.
What is the SMILES notation for 1-morpholin-4-yl-2,3-diphenylhexan-3-ol;hydrochloride?
The canonical SMILES for 1-morpholin-4-yl-2,3-diphenylhexan-3-ol;hydrochloride is CCCC(O)(c1ccccc1)C(CN1CCOCC1)c1ccccc1.Cl.
What is the InChIKey of 1-morpholin-4-yl-2,3-diphenylhexan-3-ol;hydrochloride?
The InChIKey is VCJOHPRQYBGWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2.ClH/c1-2-13-22(24,20-11-7-4-8-12-20)21(19-9-5-3-6-10-19)18-23-14-16-25-17-15-23;/h3-12,21,24H,2,13-18H2,1H3;1H.
What are the key properties of 1-morpholin-4-yl-2,3-diphenylhexan-3-ol;hydrochloride?
1-morpholin-4-yl-2,3-diphenylhexan-3-ol;hydrochloride has a molecular weight of 375.94 g/mol, XLogP of 4.21, 7 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-diphenylhexan-3-ol;hydrochloride is sourced from PubChem (CID 24747957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).