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

C24H32FNO4 — CID 68691892

IUPAC(1R)-1-[3-fluoro-6-methoxy-2-(3-methylphenyl)phenyl]-5-methoxy-1-[(2R)-morpholin-2-yl]pentan-1-ol
SMILESCOCCCC[C@@](O)(c1c(OC)ccc(F)c1-c1cccc(C)c1)[C@H]1CNCCO1
InChIInChI=1S/C24H32FNO4/c1-17-7-6-8-18(15-17)22-19(25)9-10-20(29-3)23(22)24(27,11-4-5-13-28-2)21-16-26-12-14-30-21/h6-10,15,21,26-27H,4-5,11-14,16H2,1-3H3/t21-,24+/m1/s1
InChIKeyWSKZAIQAZXGPKR-QPPBQGQZSA-N
MW417.52 g/mol
LogP3.80
Rot. Bonds9

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

(1R)-1-[3-fluoro-6-methoxy-2-(3-methylphenyl)phenyl]-5-methoxy-1-[(2R)-morpholin-2-yl]pentan-1-ol (PubChem CID 68691892) has the molecular formula C24H32FNO4 and a molecular weight of 417.52 g/mol. Its IUPAC name is (1R)-1-[3-fluoro-6-methoxy-2-(3-methylphenyl)phenyl]-5-methoxy-1-[(2R)-morpholin-2-yl]pentan-1-ol.

Molecular Properties

Compound Name(1R)-1-[3-fluoro-6-methoxy-2-(3-methylphenyl)phenyl]-5-methoxy-1-[(2R)-morpholin-2-yl]pentan-1-ol
PubChem CID68691892
Molecular FormulaC24H32FNO4
Molecular Weight417.52 g/mol
Exact Mass417.23
IUPAC Name(1R)-1-[3-fluoro-6-methoxy-2-(3-methylphenyl)phenyl]-5-methoxy-1-[(2R)-morpholin-2-yl]pentan-1-ol
SMILESCOCCCC[C@@](O)(c1c(OC)ccc(F)c1-c1cccc(C)c1)[C@H]1CNCCO1
InChIInChI=1S/C24H32FNO4/c1-17-7-6-8-18(15-17)22-19(25)9-10-20(29-3)23(22)24(27,11-4-5-13-28-2)21-16-26-12-14-30-21/h6-10,15,21,26-27H,4-5,11-14,16H2,1-3H3/t21-,24+/m1/s1
InChIKeyWSKZAIQAZXGPKR-QPPBQGQZSA-N
XLogP3.80
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.52
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 (1R)-1-[3-fluoro-6-methoxy-2-(3-methylphenyl)phenyl]-5-methoxy-1-[(2R)-morpholin-2-yl]pentan-1-ol?
The IUPAC name of (1R)-1-[3-fluoro-6-methoxy-2-(3-methylphenyl)phenyl]-5-methoxy-1-[(2R)-morpholin-2-yl]pentan-1-ol (CID 68691892) is (1R)-1-[3-fluoro-6-methoxy-2-(3-methylphenyl)phenyl]-5-methoxy-1-[(2R)-morpholin-2-yl]pentan-1-ol.
What is the SMILES notation for (1R)-1-[3-fluoro-6-methoxy-2-(3-methylphenyl)phenyl]-5-methoxy-1-[(2R)-morpholin-2-yl]pentan-1-ol?
The canonical SMILES for (1R)-1-[3-fluoro-6-methoxy-2-(3-methylphenyl)phenyl]-5-methoxy-1-[(2R)-morpholin-2-yl]pentan-1-ol is COCCCC[C@@](O)(c1c(OC)ccc(F)c1-c1cccc(C)c1)[C@H]1CNCCO1.
What is the InChIKey of (1R)-1-[3-fluoro-6-methoxy-2-(3-methylphenyl)phenyl]-5-methoxy-1-[(2R)-morpholin-2-yl]pentan-1-ol?
The InChIKey is WSKZAIQAZXGPKR-QPPBQGQZSA-N. The full InChI is InChI=1S/C24H32FNO4/c1-17-7-6-8-18(15-17)22-19(25)9-10-20(29-3)23(22)24(27,11-4-5-13-28-2)21-16-26-12-14-30-21/h6-10,15,21,26-27H,4-5,11-14,16H2,1-3H3/t21-,24+/m1/s1.
What are the key properties of (1R)-1-[3-fluoro-6-methoxy-2-(3-methylphenyl)phenyl]-5-methoxy-1-[(2R)-morpholin-2-yl]pentan-1-ol?
(1R)-1-[3-fluoro-6-methoxy-2-(3-methylphenyl)phenyl]-5-methoxy-1-[(2R)-morpholin-2-yl]pentan-1-ol has a molecular weight of 417.52 g/mol, XLogP of 3.80, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-fluoro-6-methoxy-2-(3-methylphenyl)phenyl]-5-methoxy-1-[(2R)-morpholin-2-yl]pentan-1-ol is sourced from PubChem (CID 68691892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).