2-(4-chlorophenyl)-3-(4-fluorophenyl)-4-methyl-1-morpholin-4-ylpentan-3-ol

C22H27ClFNO2 — CID 23606607

IUPAC2-(4-chlorophenyl)-3-(4-fluorophenyl)-4-methyl-1-morpholin-4-ylpentan-3-ol
SMILESCC(C)C(O)(c1ccc(F)cc1)C(CN1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C22H27ClFNO2/c1-16(2)22(26,18-5-9-20(24)10-6-18)21(15-25-11-13-27-14-12-25)17-3-7-19(23)8-4-17/h3-10,16,21,26H,11-15H2,1-2H3
InChIKeySEXQPFLANHPCNH-UHFFFAOYSA-N
MW391.91 g/mol
LogP4.44
Rot. Bonds6

About 2-(4-chlorophenyl)-3-(4-fluorophenyl)-4-methyl-1-morpholin-4-ylpentan-3-ol

2-(4-chlorophenyl)-3-(4-fluorophenyl)-4-methyl-1-morpholin-4-ylpentan-3-ol (PubChem CID 23606607) has the molecular formula C22H27ClFNO2 and a molecular weight of 391.91 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(4-fluorophenyl)-4-methyl-1-morpholin-4-ylpentan-3-ol.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(4-fluorophenyl)-4-methyl-1-morpholin-4-ylpentan-3-ol
PubChem CID23606607
Molecular FormulaC22H27ClFNO2
Molecular Weight391.91 g/mol
Exact Mass391.17
IUPAC Name2-(4-chlorophenyl)-3-(4-fluorophenyl)-4-methyl-1-morpholin-4-ylpentan-3-ol
SMILESCC(C)C(O)(c1ccc(F)cc1)C(CN1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C22H27ClFNO2/c1-16(2)22(26,18-5-9-20(24)10-6-18)21(15-25-11-13-27-14-12-25)17-3-7-19(23)8-4-17/h3-10,16,21,26H,11-15H2,1-2H3
InChIKeySEXQPFLANHPCNH-UHFFFAOYSA-N
XLogP4.44
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.91
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-(4-fluorophenyl)-4-methyl-1-morpholin-4-ylpentan-3-ol?
The IUPAC name of 2-(4-chlorophenyl)-3-(4-fluorophenyl)-4-methyl-1-morpholin-4-ylpentan-3-ol (CID 23606607) is 2-(4-chlorophenyl)-3-(4-fluorophenyl)-4-methyl-1-morpholin-4-ylpentan-3-ol.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(4-fluorophenyl)-4-methyl-1-morpholin-4-ylpentan-3-ol?
The canonical SMILES for 2-(4-chlorophenyl)-3-(4-fluorophenyl)-4-methyl-1-morpholin-4-ylpentan-3-ol is CC(C)C(O)(c1ccc(F)cc1)C(CN1CCOCC1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-(4-fluorophenyl)-4-methyl-1-morpholin-4-ylpentan-3-ol?
The InChIKey is SEXQPFLANHPCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClFNO2/c1-16(2)22(26,18-5-9-20(24)10-6-18)21(15-25-11-13-27-14-12-25)17-3-7-19(23)8-4-17/h3-10,16,21,26H,11-15H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-3-(4-fluorophenyl)-4-methyl-1-morpholin-4-ylpentan-3-ol?
2-(4-chlorophenyl)-3-(4-fluorophenyl)-4-methyl-1-morpholin-4-ylpentan-3-ol has a molecular weight of 391.91 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-(4-fluorophenyl)-4-methyl-1-morpholin-4-ylpentan-3-ol is sourced from PubChem (CID 23606607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).