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

C22H27Cl2NO3 — CID 68691607

IUPAC1-[3-chloro-2-(3-chlorophenyl)phenyl]-5-methoxy-1-[(2R)-morpholin-2-yl]pentan-1-ol
SMILESCOCCCCC(O)(c1cccc(Cl)c1-c1cccc(Cl)c1)C1CNCCO1
InChIInChI=1S/C22H27Cl2NO3/c1-27-12-3-2-10-22(26,20-15-25-11-13-28-20)18-8-5-9-19(24)21(18)16-6-4-7-17(23)14-16/h4-9,14,20,25-26H,2-3,10-13,15H2,1H3
InChIKeyLHDBLQIOSXDAIE-UHFFFAOYSA-N
MW424.37 g/mol
LogP4.65
Rot. Bonds8

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

1-[3-chloro-2-(3-chlorophenyl)phenyl]-5-methoxy-1-[(2R)-morpholin-2-yl]pentan-1-ol (PubChem CID 68691607) has the molecular formula C22H27Cl2NO3 and a molecular weight of 424.37 g/mol. Its IUPAC name is 1-[3-chloro-2-(3-chlorophenyl)phenyl]-5-methoxy-1-[(2R)-morpholin-2-yl]pentan-1-ol.

Molecular Properties

Compound Name1-[3-chloro-2-(3-chlorophenyl)phenyl]-5-methoxy-1-[(2R)-morpholin-2-yl]pentan-1-ol
PubChem CID68691607
Molecular FormulaC22H27Cl2NO3
Molecular Weight424.37 g/mol
Exact Mass423.14
IUPAC Name1-[3-chloro-2-(3-chlorophenyl)phenyl]-5-methoxy-1-[(2R)-morpholin-2-yl]pentan-1-ol
SMILESCOCCCCC(O)(c1cccc(Cl)c1-c1cccc(Cl)c1)C1CNCCO1
InChIInChI=1S/C22H27Cl2NO3/c1-27-12-3-2-10-22(26,20-15-25-11-13-28-20)18-8-5-9-19(24)21(18)16-6-4-7-17(23)14-16/h4-9,14,20,25-26H,2-3,10-13,15H2,1H3
InChIKeyLHDBLQIOSXDAIE-UHFFFAOYSA-N
XLogP4.65
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.37
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-2-(3-chlorophenyl)phenyl]-5-methoxy-1-[(2R)-morpholin-2-yl]pentan-1-ol?
The IUPAC name of 1-[3-chloro-2-(3-chlorophenyl)phenyl]-5-methoxy-1-[(2R)-morpholin-2-yl]pentan-1-ol (CID 68691607) is 1-[3-chloro-2-(3-chlorophenyl)phenyl]-5-methoxy-1-[(2R)-morpholin-2-yl]pentan-1-ol.
What is the SMILES notation for 1-[3-chloro-2-(3-chlorophenyl)phenyl]-5-methoxy-1-[(2R)-morpholin-2-yl]pentan-1-ol?
The canonical SMILES for 1-[3-chloro-2-(3-chlorophenyl)phenyl]-5-methoxy-1-[(2R)-morpholin-2-yl]pentan-1-ol is COCCCCC(O)(c1cccc(Cl)c1-c1cccc(Cl)c1)C1CNCCO1.
What is the InChIKey of 1-[3-chloro-2-(3-chlorophenyl)phenyl]-5-methoxy-1-[(2R)-morpholin-2-yl]pentan-1-ol?
The InChIKey is LHDBLQIOSXDAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27Cl2NO3/c1-27-12-3-2-10-22(26,20-15-25-11-13-28-20)18-8-5-9-19(24)21(18)16-6-4-7-17(23)14-16/h4-9,14,20,25-26H,2-3,10-13,15H2,1H3.
What are the key properties of 1-[3-chloro-2-(3-chlorophenyl)phenyl]-5-methoxy-1-[(2R)-morpholin-2-yl]pentan-1-ol?
1-[3-chloro-2-(3-chlorophenyl)phenyl]-5-methoxy-1-[(2R)-morpholin-2-yl]pentan-1-ol has a molecular weight of 424.37 g/mol, XLogP of 4.65, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-2-(3-chlorophenyl)phenyl]-5-methoxy-1-[(2R)-morpholin-2-yl]pentan-1-ol is sourced from PubChem (CID 68691607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).