3-[3-fluoro-5-[(4-methylmorpholin-2-yl)methoxy]phenyl]prop-2-yn-1-ol

C15H18FNO3 — CID 81325966

IUPAC3-[3-fluoro-5-[(4-methylmorpholin-2-yl)methoxy]phenyl]prop-2-yn-1-ol
SMILESCN1CCOC(COc2cc(F)cc(C#CCO)c2)C1
InChIInChI=1S/C15H18FNO3/c1-17-4-6-19-15(10-17)11-20-14-8-12(3-2-5-18)7-13(16)9-14/h7-9,15,18H,4-6,10-11H2,1H3
InChIKeySSUSPNLXKQUBKG-UHFFFAOYSA-N
MW279.31 g/mol
LogP0.88
Rot. Bonds3

About 3-[3-fluoro-5-[(4-methylmorpholin-2-yl)methoxy]phenyl]prop-2-yn-1-ol

3-[3-fluoro-5-[(4-methylmorpholin-2-yl)methoxy]phenyl]prop-2-yn-1-ol (PubChem CID 81325966) has the molecular formula C15H18FNO3 and a molecular weight of 279.31 g/mol. Its IUPAC name is 3-[3-fluoro-5-[(4-methylmorpholin-2-yl)methoxy]phenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[3-fluoro-5-[(4-methylmorpholin-2-yl)methoxy]phenyl]prop-2-yn-1-ol
PubChem CID81325966
Molecular FormulaC15H18FNO3
Molecular Weight279.31 g/mol
Exact Mass279.13
IUPAC Name3-[3-fluoro-5-[(4-methylmorpholin-2-yl)methoxy]phenyl]prop-2-yn-1-ol
SMILESCN1CCOC(COc2cc(F)cc(C#CCO)c2)C1
InChIInChI=1S/C15H18FNO3/c1-17-4-6-19-15(10-17)11-20-14-8-12(3-2-5-18)7-13(16)9-14/h7-9,15,18H,4-6,10-11H2,1H3
InChIKeySSUSPNLXKQUBKG-UHFFFAOYSA-N
XLogP0.88
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-5-[(4-methylmorpholin-2-yl)methoxy]phenyl]prop-2-yn-1-ol?
The IUPAC name of 3-[3-fluoro-5-[(4-methylmorpholin-2-yl)methoxy]phenyl]prop-2-yn-1-ol (CID 81325966) is 3-[3-fluoro-5-[(4-methylmorpholin-2-yl)methoxy]phenyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[3-fluoro-5-[(4-methylmorpholin-2-yl)methoxy]phenyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[3-fluoro-5-[(4-methylmorpholin-2-yl)methoxy]phenyl]prop-2-yn-1-ol is CN1CCOC(COc2cc(F)cc(C#CCO)c2)C1.
What is the InChIKey of 3-[3-fluoro-5-[(4-methylmorpholin-2-yl)methoxy]phenyl]prop-2-yn-1-ol?
The InChIKey is SSUSPNLXKQUBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO3/c1-17-4-6-19-15(10-17)11-20-14-8-12(3-2-5-18)7-13(16)9-14/h7-9,15,18H,4-6,10-11H2,1H3.
What are the key properties of 3-[3-fluoro-5-[(4-methylmorpholin-2-yl)methoxy]phenyl]prop-2-yn-1-ol?
3-[3-fluoro-5-[(4-methylmorpholin-2-yl)methoxy]phenyl]prop-2-yn-1-ol has a molecular weight of 279.31 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-5-[(4-methylmorpholin-2-yl)methoxy]phenyl]prop-2-yn-1-ol is sourced from PubChem (CID 81325966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).