(3S,4R)-4-[(4-chlorophenyl)methylamino]oxolan-3-ol

C11H14ClNO2 — CID 86315428

IUPAC(3S,4R)-4-[(4-chlorophenyl)methylamino]oxolan-3-ol
SMILESO[C@@H]1COC[C@H]1NCc1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO2/c12-9-3-1-8(2-4-9)5-13-10-6-15-7-11(10)14/h1-4,10-11,13-14H,5-7H2/t10-,11-/m1/s1
InChIKeyTVMWDSIIXYIFDN-GHMZBOCLSA-N
MW227.69 g/mol
LogP1.19
Rot. Bonds3

About (3S,4R)-4-[(4-chlorophenyl)methylamino]oxolan-3-ol

(3S,4R)-4-[(4-chlorophenyl)methylamino]oxolan-3-ol (PubChem CID 86315428) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is (3S,4R)-4-[(4-chlorophenyl)methylamino]oxolan-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-[(4-chlorophenyl)methylamino]oxolan-3-ol
PubChem CID86315428
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name(3S,4R)-4-[(4-chlorophenyl)methylamino]oxolan-3-ol
SMILESO[C@@H]1COC[C@H]1NCc1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO2/c12-9-3-1-8(2-4-9)5-13-10-6-15-7-11(10)14/h1-4,10-11,13-14H,5-7H2/t10-,11-/m1/s1
InChIKeyTVMWDSIIXYIFDN-GHMZBOCLSA-N
XLogP1.19
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-[(4-chlorophenyl)methylamino]oxolan-3-ol?
The IUPAC name of (3S,4R)-4-[(4-chlorophenyl)methylamino]oxolan-3-ol (CID 86315428) is (3S,4R)-4-[(4-chlorophenyl)methylamino]oxolan-3-ol.
What is the SMILES notation for (3S,4R)-4-[(4-chlorophenyl)methylamino]oxolan-3-ol?
The canonical SMILES for (3S,4R)-4-[(4-chlorophenyl)methylamino]oxolan-3-ol is O[C@@H]1COC[C@H]1NCc1ccc(Cl)cc1.
What is the InChIKey of (3S,4R)-4-[(4-chlorophenyl)methylamino]oxolan-3-ol?
The InChIKey is TVMWDSIIXYIFDN-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H14ClNO2/c12-9-3-1-8(2-4-9)5-13-10-6-15-7-11(10)14/h1-4,10-11,13-14H,5-7H2/t10-,11-/m1/s1.
What are the key properties of (3S,4R)-4-[(4-chlorophenyl)methylamino]oxolan-3-ol?
(3S,4R)-4-[(4-chlorophenyl)methylamino]oxolan-3-ol has a molecular weight of 227.69 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-[(4-chlorophenyl)methylamino]oxolan-3-ol is sourced from PubChem (CID 86315428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).