(3S)-4-benzyl-3-(4-fluorophenyl)morpholin-2-ol

C17H18FNO2 — CID 58105339

IUPAC(3S)-4-benzyl-3-(4-fluorophenyl)morpholin-2-ol
SMILESOC1OCCN(Cc2ccccc2)[C@H]1c1ccc(F)cc1
InChIInChI=1S/C17H18FNO2/c18-15-8-6-14(7-9-15)16-17(20)21-11-10-19(16)12-13-4-2-1-3-5-13/h1-9,16-17,20H,10-12H2/t16-,17?/m0/s1
InChIKeyORIBCQLRNMKTAW-BHWOMJMDSA-N
MW287.33 g/mol
LogP2.72
Rot. Bonds3

About (3S)-4-benzyl-3-(4-fluorophenyl)morpholin-2-ol

(3S)-4-benzyl-3-(4-fluorophenyl)morpholin-2-ol (PubChem CID 58105339) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is (3S)-4-benzyl-3-(4-fluorophenyl)morpholin-2-ol.

Molecular Properties

Compound Name(3S)-4-benzyl-3-(4-fluorophenyl)morpholin-2-ol
PubChem CID58105339
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name(3S)-4-benzyl-3-(4-fluorophenyl)morpholin-2-ol
SMILESOC1OCCN(Cc2ccccc2)[C@H]1c1ccc(F)cc1
InChIInChI=1S/C17H18FNO2/c18-15-8-6-14(7-9-15)16-17(20)21-11-10-19(16)12-13-4-2-1-3-5-13/h1-9,16-17,20H,10-12H2/t16-,17?/m0/s1
InChIKeyORIBCQLRNMKTAW-BHWOMJMDSA-N
XLogP2.72
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-4-benzyl-3-(4-fluorophenyl)morpholin-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-4-benzyl-3-(4-fluorophenyl)morpholin-2-ol?
The IUPAC name of (3S)-4-benzyl-3-(4-fluorophenyl)morpholin-2-ol (CID 58105339) is (3S)-4-benzyl-3-(4-fluorophenyl)morpholin-2-ol.
What is the SMILES notation for (3S)-4-benzyl-3-(4-fluorophenyl)morpholin-2-ol?
The canonical SMILES for (3S)-4-benzyl-3-(4-fluorophenyl)morpholin-2-ol is OC1OCCN(Cc2ccccc2)[C@H]1c1ccc(F)cc1.
What is the InChIKey of (3S)-4-benzyl-3-(4-fluorophenyl)morpholin-2-ol?
The InChIKey is ORIBCQLRNMKTAW-BHWOMJMDSA-N. The full InChI is InChI=1S/C17H18FNO2/c18-15-8-6-14(7-9-15)16-17(20)21-11-10-19(16)12-13-4-2-1-3-5-13/h1-9,16-17,20H,10-12H2/t16-,17?/m0/s1.
What are the key properties of (3S)-4-benzyl-3-(4-fluorophenyl)morpholin-2-ol?
(3S)-4-benzyl-3-(4-fluorophenyl)morpholin-2-ol has a molecular weight of 287.33 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-benzyl-3-(4-fluorophenyl)morpholin-2-ol is sourced from PubChem (CID 58105339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).