4-fluoro-2-[(2-methylmorpholin-4-yl)methyl]phenol

C12H16FNO2 — CID 103947504

IUPAC4-fluoro-2-[(2-methylmorpholin-4-yl)methyl]phenol
SMILESCC1CN(Cc2cc(F)ccc2O)CCO1
InChIInChI=1S/C12H16FNO2/c1-9-7-14(4-5-16-9)8-10-6-11(13)2-3-12(10)15/h2-3,6,9,15H,4-5,7-8H2,1H3
InChIKeyWCYFXCKNUQWBBP-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.75
Rot. Bonds2

About 4-fluoro-2-[(2-methylmorpholin-4-yl)methyl]phenol

4-fluoro-2-[(2-methylmorpholin-4-yl)methyl]phenol (PubChem CID 103947504) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 4-fluoro-2-[(2-methylmorpholin-4-yl)methyl]phenol.

Molecular Properties

Compound Name4-fluoro-2-[(2-methylmorpholin-4-yl)methyl]phenol
PubChem CID103947504
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name4-fluoro-2-[(2-methylmorpholin-4-yl)methyl]phenol
SMILESCC1CN(Cc2cc(F)ccc2O)CCO1
InChIInChI=1S/C12H16FNO2/c1-9-7-14(4-5-16-9)8-10-6-11(13)2-3-12(10)15/h2-3,6,9,15H,4-5,7-8H2,1H3
InChIKeyWCYFXCKNUQWBBP-UHFFFAOYSA-N
XLogP1.75
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

[4-fluoro-2-[(2-methylmorpholin-4-yl)methyl]phenyl]methanamine
CID 64768324
2-[(2,6-dimethylmorpholin-4-yl)methyl]-4-fluorophenol
CID 113356760
5-fluoro-2-[(2-methylmorpholin-4-yl)methyl]benzoic acid
CID 55170973
4-amino-2-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenol
CID 62988425
4-fluoro-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]phenol
CID 104872388
3-fluoro-4-[[(2S)-2-methylmorpholin-4-yl]methyl]aniline
CID 178034876
2-[(2,2-dimethylmorpholin-4-yl)methyl]-4-fluorophenol
CID 103947549
4-bromo-3-[(2-methylmorpholin-4-yl)methyl]phenol
CID 82977781
4-fluoro-2-[[3-(methylamino)piperidin-1-yl]methyl]phenol
CID 104869408
5-tert-butyl-3-[(2-methylmorpholin-4-yl)methyl]benzene-1,2-diol
CID 17392579
2-[[(2R)-2-(4-fluorophenyl)morpholin-4-yl]methyl]-4,5-dimethoxyphenol
CID 97063266
4-fluoro-2-[[4-[(5-fluoro-2-hydroxyphenyl)methyl]-1,4-diazepan-1-yl]methyl]phenol
CID 102417416

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(2-methylmorpholin-4-yl)methyl]phenol?
The IUPAC name of 4-fluoro-2-[(2-methylmorpholin-4-yl)methyl]phenol (CID 103947504) is 4-fluoro-2-[(2-methylmorpholin-4-yl)methyl]phenol.
What is the SMILES notation for 4-fluoro-2-[(2-methylmorpholin-4-yl)methyl]phenol?
The canonical SMILES for 4-fluoro-2-[(2-methylmorpholin-4-yl)methyl]phenol is CC1CN(Cc2cc(F)ccc2O)CCO1.
What is the InChIKey of 4-fluoro-2-[(2-methylmorpholin-4-yl)methyl]phenol?
The InChIKey is WCYFXCKNUQWBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-9-7-14(4-5-16-9)8-10-6-11(13)2-3-12(10)15/h2-3,6,9,15H,4-5,7-8H2,1H3.
What are the key properties of 4-fluoro-2-[(2-methylmorpholin-4-yl)methyl]phenol?
4-fluoro-2-[(2-methylmorpholin-4-yl)methyl]phenol has a molecular weight of 225.26 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[(2-methylmorpholin-4-yl)methyl]phenol is sourced from PubChem (CID 103947504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).