[3-fluoro-4-(2-methylmorpholin-4-yl)phenyl]methanol

C12H16FNO2 — CID 43121042

IUPAC[3-fluoro-4-(2-methylmorpholin-4-yl)phenyl]methanol
SMILESCC1CN(c2ccc(CO)cc2F)CCO1
InChIInChI=1S/C12H16FNO2/c1-9-7-14(4-5-16-9)12-3-2-10(8-15)6-11(12)13/h2-3,6,9,15H,4-5,7-8H2,1H3
InChIKeyAJSHAPGQZNHJHQ-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.54
Rot. Bonds2

About [3-fluoro-4-(2-methylmorpholin-4-yl)phenyl]methanol

[3-fluoro-4-(2-methylmorpholin-4-yl)phenyl]methanol (PubChem CID 43121042) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is [3-fluoro-4-(2-methylmorpholin-4-yl)phenyl]methanol.

Molecular Properties

Compound Name[3-fluoro-4-(2-methylmorpholin-4-yl)phenyl]methanol
PubChem CID43121042
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name[3-fluoro-4-(2-methylmorpholin-4-yl)phenyl]methanol
SMILESCC1CN(c2ccc(CO)cc2F)CCO1
InChIInChI=1S/C12H16FNO2/c1-9-7-14(4-5-16-9)12-3-2-10(8-15)6-11(12)13/h2-3,6,9,15H,4-5,7-8H2,1H3
InChIKeyAJSHAPGQZNHJHQ-UHFFFAOYSA-N
XLogP1.54
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 ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-(2-methylmorpholin-4-yl)phenyl]methanol?
The IUPAC name of [3-fluoro-4-(2-methylmorpholin-4-yl)phenyl]methanol (CID 43121042) is [3-fluoro-4-(2-methylmorpholin-4-yl)phenyl]methanol.
What is the SMILES notation for [3-fluoro-4-(2-methylmorpholin-4-yl)phenyl]methanol?
The canonical SMILES for [3-fluoro-4-(2-methylmorpholin-4-yl)phenyl]methanol is CC1CN(c2ccc(CO)cc2F)CCO1.
What is the InChIKey of [3-fluoro-4-(2-methylmorpholin-4-yl)phenyl]methanol?
The InChIKey is AJSHAPGQZNHJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-9-7-14(4-5-16-9)12-3-2-10(8-15)6-11(12)13/h2-3,6,9,15H,4-5,7-8H2,1H3.
What are the key properties of [3-fluoro-4-(2-methylmorpholin-4-yl)phenyl]methanol?
[3-fluoro-4-(2-methylmorpholin-4-yl)phenyl]methanol has a molecular weight of 225.26 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-(2-methylmorpholin-4-yl)phenyl]methanol is sourced from PubChem (CID 43121042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).