1-(4-bromophenyl)-1-cyclohexyl-3-morpholin-4-yl-2-phenylpropan-1-ol;hydrochloride

C25H33BrClNO2 — CID 25112706

IUPAC1-(4-bromophenyl)-1-cyclohexyl-3-morpholin-4-yl-2-phenylpropan-1-ol;hydrochloride
SMILESCl.OC(c1ccc(Br)cc1)(C1CCCCC1)C(CN1CCOCC1)c1ccccc1
InChIInChI=1S/C25H32BrNO2.ClH/c26-23-13-11-22(12-14-23)25(28,21-9-5-2-6-10-21)24(20-7-3-1-4-8-20)19-27-15-17-29-18-16-27;/h1,3-4,7-8,11-14,21,24,28H,2,5-6,9-10,15-19H2;1H
InChIKeyLGWBXQVSTVCHTD-UHFFFAOYSA-N
MW494.90 g/mol
LogP5.75
Rot. Bonds6

About 1-(4-bromophenyl)-1-cyclohexyl-3-morpholin-4-yl-2-phenylpropan-1-ol;hydrochloride

1-(4-bromophenyl)-1-cyclohexyl-3-morpholin-4-yl-2-phenylpropan-1-ol;hydrochloride (PubChem CID 25112706) has the molecular formula C25H33BrClNO2 and a molecular weight of 494.90 g/mol. Its IUPAC name is 1-(4-bromophenyl)-1-cyclohexyl-3-morpholin-4-yl-2-phenylpropan-1-ol;hydrochloride.

Molecular Properties

Compound Name1-(4-bromophenyl)-1-cyclohexyl-3-morpholin-4-yl-2-phenylpropan-1-ol;hydrochloride
PubChem CID25112706
Molecular FormulaC25H33BrClNO2
Molecular Weight494.90 g/mol
Exact Mass493.14
IUPAC Name1-(4-bromophenyl)-1-cyclohexyl-3-morpholin-4-yl-2-phenylpropan-1-ol;hydrochloride
SMILESCl.OC(c1ccc(Br)cc1)(C1CCCCC1)C(CN1CCOCC1)c1ccccc1
InChIInChI=1S/C25H32BrNO2.ClH/c26-23-13-11-22(12-14-23)25(28,21-9-5-2-6-10-21)24(20-7-3-1-4-8-20)19-27-15-17-29-18-16-27;/h1,3-4,7-8,11-14,21,24,28H,2,5-6,9-10,15-19H2;1H
InChIKeyLGWBXQVSTVCHTD-UHFFFAOYSA-N
XLogP5.75
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.90
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-1-cyclohexyl-3-morpholin-4-yl-2-phenylpropan-1-ol;hydrochloride?
The IUPAC name of 1-(4-bromophenyl)-1-cyclohexyl-3-morpholin-4-yl-2-phenylpropan-1-ol;hydrochloride (CID 25112706) is 1-(4-bromophenyl)-1-cyclohexyl-3-morpholin-4-yl-2-phenylpropan-1-ol;hydrochloride.
What is the SMILES notation for 1-(4-bromophenyl)-1-cyclohexyl-3-morpholin-4-yl-2-phenylpropan-1-ol;hydrochloride?
The canonical SMILES for 1-(4-bromophenyl)-1-cyclohexyl-3-morpholin-4-yl-2-phenylpropan-1-ol;hydrochloride is Cl.OC(c1ccc(Br)cc1)(C1CCCCC1)C(CN1CCOCC1)c1ccccc1.
What is the InChIKey of 1-(4-bromophenyl)-1-cyclohexyl-3-morpholin-4-yl-2-phenylpropan-1-ol;hydrochloride?
The InChIKey is LGWBXQVSTVCHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32BrNO2.ClH/c26-23-13-11-22(12-14-23)25(28,21-9-5-2-6-10-21)24(20-7-3-1-4-8-20)19-27-15-17-29-18-16-27;/h1,3-4,7-8,11-14,21,24,28H,2,5-6,9-10,15-19H2;1H.
What are the key properties of 1-(4-bromophenyl)-1-cyclohexyl-3-morpholin-4-yl-2-phenylpropan-1-ol;hydrochloride?
1-(4-bromophenyl)-1-cyclohexyl-3-morpholin-4-yl-2-phenylpropan-1-ol;hydrochloride has a molecular weight of 494.90 g/mol, XLogP of 5.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-1-cyclohexyl-3-morpholin-4-yl-2-phenylpropan-1-ol;hydrochloride is sourced from PubChem (CID 25112706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).