(1R)-1-(3-chloro-2-fluorophenyl)-5-methoxy-1-[(2R)-morpholin-2-yl]pentan-1-ol

C16H23ClFNO3 — CID 59598470

IUPAC(1R)-1-(3-chloro-2-fluorophenyl)-5-methoxy-1-[(2R)-morpholin-2-yl]pentan-1-ol
SMILESCOCCCC[C@@](O)(c1cccc(Cl)c1F)[C@H]1CNCCO1
InChIInChI=1S/C16H23ClFNO3/c1-21-9-3-2-7-16(20,14-11-19-8-10-22-14)12-5-4-6-13(17)15(12)18/h4-6,14,19-20H,2-3,7-11H2,1H3/t14-,16-/m1/s1
InChIKeySIOLVTMDDSHSSO-GDBMZVCRSA-N
MW331.81 g/mol
LogP2.47
Rot. Bonds7

About (1R)-1-(3-chloro-2-fluorophenyl)-5-methoxy-1-[(2R)-morpholin-2-yl]pentan-1-ol

(1R)-1-(3-chloro-2-fluorophenyl)-5-methoxy-1-[(2R)-morpholin-2-yl]pentan-1-ol (PubChem CID 59598470) has the molecular formula C16H23ClFNO3 and a molecular weight of 331.81 g/mol. Its IUPAC name is (1R)-1-(3-chloro-2-fluorophenyl)-5-methoxy-1-[(2R)-morpholin-2-yl]pentan-1-ol.

Molecular Properties

Compound Name(1R)-1-(3-chloro-2-fluorophenyl)-5-methoxy-1-[(2R)-morpholin-2-yl]pentan-1-ol
PubChem CID59598470
Molecular FormulaC16H23ClFNO3
Molecular Weight331.81 g/mol
Exact Mass331.14
IUPAC Name(1R)-1-(3-chloro-2-fluorophenyl)-5-methoxy-1-[(2R)-morpholin-2-yl]pentan-1-ol
SMILESCOCCCC[C@@](O)(c1cccc(Cl)c1F)[C@H]1CNCCO1
InChIInChI=1S/C16H23ClFNO3/c1-21-9-3-2-7-16(20,14-11-19-8-10-22-14)12-5-4-6-13(17)15(12)18/h4-6,14,19-20H,2-3,7-11H2,1H3/t14-,16-/m1/s1
InChIKeySIOLVTMDDSHSSO-GDBMZVCRSA-N
XLogP2.47
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.81
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (1R)-1-(3-chloro-2-fluorophenyl)-5-methoxy-1-[(2R)-morpholin-2-yl]pentan-1-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 (1R)-1-(3-chloro-2-fluorophenyl)-5-methoxy-1-[(2R)-morpholin-2-yl]pentan-1-ol?
The IUPAC name of (1R)-1-(3-chloro-2-fluorophenyl)-5-methoxy-1-[(2R)-morpholin-2-yl]pentan-1-ol (CID 59598470) is (1R)-1-(3-chloro-2-fluorophenyl)-5-methoxy-1-[(2R)-morpholin-2-yl]pentan-1-ol.
What is the SMILES notation for (1R)-1-(3-chloro-2-fluorophenyl)-5-methoxy-1-[(2R)-morpholin-2-yl]pentan-1-ol?
The canonical SMILES for (1R)-1-(3-chloro-2-fluorophenyl)-5-methoxy-1-[(2R)-morpholin-2-yl]pentan-1-ol is COCCCC[C@@](O)(c1cccc(Cl)c1F)[C@H]1CNCCO1.
What is the InChIKey of (1R)-1-(3-chloro-2-fluorophenyl)-5-methoxy-1-[(2R)-morpholin-2-yl]pentan-1-ol?
The InChIKey is SIOLVTMDDSHSSO-GDBMZVCRSA-N. The full InChI is InChI=1S/C16H23ClFNO3/c1-21-9-3-2-7-16(20,14-11-19-8-10-22-14)12-5-4-6-13(17)15(12)18/h4-6,14,19-20H,2-3,7-11H2,1H3/t14-,16-/m1/s1.
What are the key properties of (1R)-1-(3-chloro-2-fluorophenyl)-5-methoxy-1-[(2R)-morpholin-2-yl]pentan-1-ol?
(1R)-1-(3-chloro-2-fluorophenyl)-5-methoxy-1-[(2R)-morpholin-2-yl]pentan-1-ol has a molecular weight of 331.81 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-chloro-2-fluorophenyl)-5-methoxy-1-[(2R)-morpholin-2-yl]pentan-1-ol is sourced from PubChem (CID 59598470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).