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

C23H30FNO3 — CID 69171937

IUPAC1-[3-fluoro-2-(3-methylphenyl)phenyl]-5-methoxy-1-morpholin-2-ylpentan-1-ol
SMILESCOCCCCC(O)(c1cccc(F)c1-c1cccc(C)c1)C1CNCCO1
InChIInChI=1S/C23H30FNO3/c1-17-7-5-8-18(15-17)22-19(9-6-10-20(22)24)23(26,11-3-4-13-27-2)21-16-25-12-14-28-21/h5-10,15,21,25-26H,3-4,11-14,16H2,1-2H3
InChIKeyVWAXSMKTJZOQNE-UHFFFAOYSA-N
MW387.50 g/mol
LogP3.79
Rot. Bonds8

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

1-[3-fluoro-2-(3-methylphenyl)phenyl]-5-methoxy-1-morpholin-2-ylpentan-1-ol (PubChem CID 69171937) has the molecular formula C23H30FNO3 and a molecular weight of 387.50 g/mol. Its IUPAC name is 1-[3-fluoro-2-(3-methylphenyl)phenyl]-5-methoxy-1-morpholin-2-ylpentan-1-ol.

Molecular Properties

Compound Name1-[3-fluoro-2-(3-methylphenyl)phenyl]-5-methoxy-1-morpholin-2-ylpentan-1-ol
PubChem CID69171937
Molecular FormulaC23H30FNO3
Molecular Weight387.50 g/mol
Exact Mass387.22
IUPAC Name1-[3-fluoro-2-(3-methylphenyl)phenyl]-5-methoxy-1-morpholin-2-ylpentan-1-ol
SMILESCOCCCCC(O)(c1cccc(F)c1-c1cccc(C)c1)C1CNCCO1
InChIInChI=1S/C23H30FNO3/c1-17-7-5-8-18(15-17)22-19(9-6-10-20(22)24)23(26,11-3-4-13-27-2)21-16-25-12-14-28-21/h5-10,15,21,25-26H,3-4,11-14,16H2,1-2H3
InChIKeyVWAXSMKTJZOQNE-UHFFFAOYSA-N
XLogP3.79
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.50
LogP ≤ 53.79
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-fluoro-2-(3-methylphenyl)phenyl]-5-methoxy-1-morpholin-2-ylpentan-1-ol?
The IUPAC name of 1-[3-fluoro-2-(3-methylphenyl)phenyl]-5-methoxy-1-morpholin-2-ylpentan-1-ol (CID 69171937) is 1-[3-fluoro-2-(3-methylphenyl)phenyl]-5-methoxy-1-morpholin-2-ylpentan-1-ol.
What is the SMILES notation for 1-[3-fluoro-2-(3-methylphenyl)phenyl]-5-methoxy-1-morpholin-2-ylpentan-1-ol?
The canonical SMILES for 1-[3-fluoro-2-(3-methylphenyl)phenyl]-5-methoxy-1-morpholin-2-ylpentan-1-ol is COCCCCC(O)(c1cccc(F)c1-c1cccc(C)c1)C1CNCCO1.
What is the InChIKey of 1-[3-fluoro-2-(3-methylphenyl)phenyl]-5-methoxy-1-morpholin-2-ylpentan-1-ol?
The InChIKey is VWAXSMKTJZOQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FNO3/c1-17-7-5-8-18(15-17)22-19(9-6-10-20(22)24)23(26,11-3-4-13-27-2)21-16-25-12-14-28-21/h5-10,15,21,25-26H,3-4,11-14,16H2,1-2H3.
What are the key properties of 1-[3-fluoro-2-(3-methylphenyl)phenyl]-5-methoxy-1-morpholin-2-ylpentan-1-ol?
1-[3-fluoro-2-(3-methylphenyl)phenyl]-5-methoxy-1-morpholin-2-ylpentan-1-ol has a molecular weight of 387.50 g/mol, XLogP of 3.79, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-2-(3-methylphenyl)phenyl]-5-methoxy-1-morpholin-2-ylpentan-1-ol is sourced from PubChem (CID 69171937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).