(2,6-dimethylmorpholin-4-yl)-(3-fluoro-4-methylphenyl)methanediol;ethane

C18H32FNO3 — CID 145069999

IUPAC(2,6-dimethylmorpholin-4-yl)-(3-fluoro-4-methylphenyl)methanediol;ethane
SMILESCC.CC.Cc1ccc(C(O)(O)N2CC(C)OC(C)C2)cc1F
InChIInChI=1S/C14H20FNO3.2C2H6/c1-9-4-5-12(6-13(9)15)14(17,18)16-7-10(2)19-11(3)8-16;2*1-2/h4-6,10-11,17-18H,7-8H2,1-3H3;2*1-2H3
InChIKeyMSLJPOSSMXKUHQ-UHFFFAOYSA-N
MW329.46 g/mol
LogP3.39
Rot. Bonds2

About (2,6-dimethylmorpholin-4-yl)-(3-fluoro-4-methylphenyl)methanediol;ethane

(2,6-dimethylmorpholin-4-yl)-(3-fluoro-4-methylphenyl)methanediol;ethane (PubChem CID 145069999) has the molecular formula C18H32FNO3 and a molecular weight of 329.46 g/mol. Its IUPAC name is (2,6-dimethylmorpholin-4-yl)-(3-fluoro-4-methylphenyl)methanediol;ethane.

Molecular Properties

Compound Name(2,6-dimethylmorpholin-4-yl)-(3-fluoro-4-methylphenyl)methanediol;ethane
PubChem CID145069999
Molecular FormulaC18H32FNO3
Molecular Weight329.46 g/mol
Exact Mass329.24
IUPAC Name(2,6-dimethylmorpholin-4-yl)-(3-fluoro-4-methylphenyl)methanediol;ethane
SMILESCC.CC.Cc1ccc(C(O)(O)N2CC(C)OC(C)C2)cc1F
InChIInChI=1S/C14H20FNO3.2C2H6/c1-9-4-5-12(6-13(9)15)14(17,18)16-7-10(2)19-11(3)8-16;2*1-2/h4-6,10-11,17-18H,7-8H2,1-3H3;2*1-2H3
InChIKeyMSLJPOSSMXKUHQ-UHFFFAOYSA-N
XLogP3.39
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.46
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (2,6-dimethylmorpholin-4-yl)-(3-fluoro-4-methylphenyl)methanediol;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Morpholineethanol, alpha-phenyl-
CID 20491
(4-Fluorophenyl)-[1-[(4-methylphenyl)methyl]piperidin-4-yl]methanol
CID 162648328
(3S)-3-[(4-fluoro-3-methylphenyl)methoxy]-1-[(4-methylphenyl)methyl]piperidine
CID 168283295
[4-(Morpholinomethyl)phenyl]methanol
CID 2795499
1-(4-Fluorophenyl)-2-(morpholin-4-yl)ethan-1-ol
CID 3678809
1-(4-Fluorophenyl)-2-morpholino-2-phenylethanol hydrochloride
CID 6603251
2-(Morpholin-4-yl)-1,2-diphenylethan-1-ol
CID 281045
3-(4-Methylphenyl)-1-(morpholin-4-yl)hex-5-en-3-ol--hydrogen chloride (1/1)
CID 200540
4-[(Piperidin-1-yl)methyl]benzyl alcohol
CID 7162041
2-[4-(2-Fluorophenyl)phenyl]-4-methyl-morphonyl-2-ol
CID 25108166
2-[4-(4-Fluorophenyl)phenyl]-4-methyl-morphonyl-2-ol
CID 25108237
2-[4-(2-Methoxyethyl)piperazin-1-yl]-1-[4-(trifluoromethyl)phenyl]ethanol
CID 53530226

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylmorpholin-4-yl)-(3-fluoro-4-methylphenyl)methanediol;ethane?
The IUPAC name of (2,6-dimethylmorpholin-4-yl)-(3-fluoro-4-methylphenyl)methanediol;ethane (CID 145069999) is (2,6-dimethylmorpholin-4-yl)-(3-fluoro-4-methylphenyl)methanediol;ethane.
What is the SMILES notation for (2,6-dimethylmorpholin-4-yl)-(3-fluoro-4-methylphenyl)methanediol;ethane?
The canonical SMILES for (2,6-dimethylmorpholin-4-yl)-(3-fluoro-4-methylphenyl)methanediol;ethane is CC.CC.Cc1ccc(C(O)(O)N2CC(C)OC(C)C2)cc1F.
What is the InChIKey of (2,6-dimethylmorpholin-4-yl)-(3-fluoro-4-methylphenyl)methanediol;ethane?
The InChIKey is MSLJPOSSMXKUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3.2C2H6/c1-9-4-5-12(6-13(9)15)14(17,18)16-7-10(2)19-11(3)8-16;2*1-2/h4-6,10-11,17-18H,7-8H2,1-3H3;2*1-2H3.
What are the key properties of (2,6-dimethylmorpholin-4-yl)-(3-fluoro-4-methylphenyl)methanediol;ethane?
(2,6-dimethylmorpholin-4-yl)-(3-fluoro-4-methylphenyl)methanediol;ethane has a molecular weight of 329.46 g/mol, XLogP of 3.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylmorpholin-4-yl)-(3-fluoro-4-methylphenyl)methanediol;ethane is sourced from PubChem (CID 145069999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).