(S)-(4-chlorophenyl)-[(1R,2R)-2-morpholin-4-ylcyclohexyl]methanol

C17H24ClNO2 — CID 125467242

IUPAC(S)-(4-chlorophenyl)-[(1R,2R)-2-morpholin-4-ylcyclohexyl]methanol
SMILESO[C@H](c1ccc(Cl)cc1)[C@@H]1CCCC[C@H]1N1CCOCC1
InChIInChI=1S/C17H24ClNO2/c18-14-7-5-13(6-8-14)17(20)15-3-1-2-4-16(15)19-9-11-21-12-10-19/h5-8,15-17,20H,1-4,9-12H2/t15-,16-,17-/m1/s1
InChIKeyIDLIPEVHTHEYBR-BRWVUGGUSA-N
MW309.84 g/mol
LogP3.26
Rot. Bonds3

About (S)-(4-chlorophenyl)-[(1R,2R)-2-morpholin-4-ylcyclohexyl]methanol

(S)-(4-chlorophenyl)-[(1R,2R)-2-morpholin-4-ylcyclohexyl]methanol (PubChem CID 125467242) has the molecular formula C17H24ClNO2 and a molecular weight of 309.84 g/mol. Its IUPAC name is (S)-(4-chlorophenyl)-[(1R,2R)-2-morpholin-4-ylcyclohexyl]methanol.

Molecular Properties

Compound Name(S)-(4-chlorophenyl)-[(1R,2R)-2-morpholin-4-ylcyclohexyl]methanol
PubChem CID125467242
Molecular FormulaC17H24ClNO2
Molecular Weight309.84 g/mol
Exact Mass309.15
IUPAC Name(S)-(4-chlorophenyl)-[(1R,2R)-2-morpholin-4-ylcyclohexyl]methanol
SMILESO[C@H](c1ccc(Cl)cc1)[C@@H]1CCCC[C@H]1N1CCOCC1
InChIInChI=1S/C17H24ClNO2/c18-14-7-5-13(6-8-14)17(20)15-3-1-2-4-16(15)19-9-11-21-12-10-19/h5-8,15-17,20H,1-4,9-12H2/t15-,16-,17-/m1/s1
InChIKeyIDLIPEVHTHEYBR-BRWVUGGUSA-N
XLogP3.26
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (S)-(4-chlorophenyl)-[(1R,2R)-2-morpholin-4-ylcyclohexyl]methanol?
The IUPAC name of (S)-(4-chlorophenyl)-[(1R,2R)-2-morpholin-4-ylcyclohexyl]methanol (CID 125467242) is (S)-(4-chlorophenyl)-[(1R,2R)-2-morpholin-4-ylcyclohexyl]methanol.
What is the SMILES notation for (S)-(4-chlorophenyl)-[(1R,2R)-2-morpholin-4-ylcyclohexyl]methanol?
The canonical SMILES for (S)-(4-chlorophenyl)-[(1R,2R)-2-morpholin-4-ylcyclohexyl]methanol is O[C@H](c1ccc(Cl)cc1)[C@@H]1CCCC[C@H]1N1CCOCC1.
What is the InChIKey of (S)-(4-chlorophenyl)-[(1R,2R)-2-morpholin-4-ylcyclohexyl]methanol?
The InChIKey is IDLIPEVHTHEYBR-BRWVUGGUSA-N. The full InChI is InChI=1S/C17H24ClNO2/c18-14-7-5-13(6-8-14)17(20)15-3-1-2-4-16(15)19-9-11-21-12-10-19/h5-8,15-17,20H,1-4,9-12H2/t15-,16-,17-/m1/s1.
What are the key properties of (S)-(4-chlorophenyl)-[(1R,2R)-2-morpholin-4-ylcyclohexyl]methanol?
(S)-(4-chlorophenyl)-[(1R,2R)-2-morpholin-4-ylcyclohexyl]methanol has a molecular weight of 309.84 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(4-chlorophenyl)-[(1R,2R)-2-morpholin-4-ylcyclohexyl]methanol is sourced from PubChem (CID 125467242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).