(1R)-5-methoxy-1-[2-methoxy-6-(3-methylphenyl)phenyl]-1-morpholin-2-ylpentan-1-ol

C24H33NO4 — CID 68695445

IUPAC(1R)-5-methoxy-1-[2-methoxy-6-(3-methylphenyl)phenyl]-1-morpholin-2-ylpentan-1-ol
SMILESCOCCCC[C@@](O)(c1c(OC)cccc1-c1cccc(C)c1)C1CNCCO1
InChIInChI=1S/C24H33NO4/c1-18-8-6-9-19(16-18)20-10-7-11-21(28-3)23(20)24(26,12-4-5-14-27-2)22-17-25-13-15-29-22/h6-11,16,22,25-26H,4-5,12-15,17H2,1-3H3/t22?,24-/m0/s1
InChIKeyZLWKQXAURFQXQO-GITCGBDTSA-N
MW399.53 g/mol
LogP3.66
Rot. Bonds9

About (1R)-5-methoxy-1-[2-methoxy-6-(3-methylphenyl)phenyl]-1-morpholin-2-ylpentan-1-ol

(1R)-5-methoxy-1-[2-methoxy-6-(3-methylphenyl)phenyl]-1-morpholin-2-ylpentan-1-ol (PubChem CID 68695445) has the molecular formula C24H33NO4 and a molecular weight of 399.53 g/mol. Its IUPAC name is (1R)-5-methoxy-1-[2-methoxy-6-(3-methylphenyl)phenyl]-1-morpholin-2-ylpentan-1-ol.

Molecular Properties

Compound Name(1R)-5-methoxy-1-[2-methoxy-6-(3-methylphenyl)phenyl]-1-morpholin-2-ylpentan-1-ol
PubChem CID68695445
Molecular FormulaC24H33NO4
Molecular Weight399.53 g/mol
Exact Mass399.24
IUPAC Name(1R)-5-methoxy-1-[2-methoxy-6-(3-methylphenyl)phenyl]-1-morpholin-2-ylpentan-1-ol
SMILESCOCCCC[C@@](O)(c1c(OC)cccc1-c1cccc(C)c1)C1CNCCO1
InChIInChI=1S/C24H33NO4/c1-18-8-6-9-19(16-18)20-10-7-11-21(28-3)23(20)24(26,12-4-5-14-27-2)22-17-25-13-15-29-22/h6-11,16,22,25-26H,4-5,12-15,17H2,1-3H3/t22?,24-/m0/s1
InChIKeyZLWKQXAURFQXQO-GITCGBDTSA-N
XLogP3.66
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.53
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (1R)-5-methoxy-1-[2-methoxy-6-(3-methylphenyl)phenyl]-1-morpholin-2-ylpentan-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)-5-methoxy-1-[2-methoxy-6-(3-methylphenyl)phenyl]-1-morpholin-2-ylpentan-1-ol?
The IUPAC name of (1R)-5-methoxy-1-[2-methoxy-6-(3-methylphenyl)phenyl]-1-morpholin-2-ylpentan-1-ol (CID 68695445) is (1R)-5-methoxy-1-[2-methoxy-6-(3-methylphenyl)phenyl]-1-morpholin-2-ylpentan-1-ol.
What is the SMILES notation for (1R)-5-methoxy-1-[2-methoxy-6-(3-methylphenyl)phenyl]-1-morpholin-2-ylpentan-1-ol?
The canonical SMILES for (1R)-5-methoxy-1-[2-methoxy-6-(3-methylphenyl)phenyl]-1-morpholin-2-ylpentan-1-ol is COCCCC[C@@](O)(c1c(OC)cccc1-c1cccc(C)c1)C1CNCCO1.
What is the InChIKey of (1R)-5-methoxy-1-[2-methoxy-6-(3-methylphenyl)phenyl]-1-morpholin-2-ylpentan-1-ol?
The InChIKey is ZLWKQXAURFQXQO-GITCGBDTSA-N. The full InChI is InChI=1S/C24H33NO4/c1-18-8-6-9-19(16-18)20-10-7-11-21(28-3)23(20)24(26,12-4-5-14-27-2)22-17-25-13-15-29-22/h6-11,16,22,25-26H,4-5,12-15,17H2,1-3H3/t22?,24-/m0/s1.
What are the key properties of (1R)-5-methoxy-1-[2-methoxy-6-(3-methylphenyl)phenyl]-1-morpholin-2-ylpentan-1-ol?
(1R)-5-methoxy-1-[2-methoxy-6-(3-methylphenyl)phenyl]-1-morpholin-2-ylpentan-1-ol has a molecular weight of 399.53 g/mol, XLogP of 3.66, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-5-methoxy-1-[2-methoxy-6-(3-methylphenyl)phenyl]-1-morpholin-2-ylpentan-1-ol is sourced from PubChem (CID 68695445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).