1-(4-fluoro-2-hydroxyphenyl)-4-morpholin-4-ylbutan-1-one

C14H18FNO3 — CID 70592097

IUPAC1-(4-fluoro-2-hydroxyphenyl)-4-morpholin-4-ylbutan-1-one
SMILESO=C(CCCN1CCOCC1)c1ccc(F)cc1O
InChIInChI=1S/C14H18FNO3/c15-11-3-4-12(14(18)10-11)13(17)2-1-5-16-6-8-19-9-7-16/h3-4,10,18H,1-2,5-9H2
InChIKeyLWDVLOKECGGPQQ-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.83
Rot. Bonds5

About 1-(4-fluoro-2-hydroxyphenyl)-4-morpholin-4-ylbutan-1-one

1-(4-fluoro-2-hydroxyphenyl)-4-morpholin-4-ylbutan-1-one (PubChem CID 70592097) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is 1-(4-fluoro-2-hydroxyphenyl)-4-morpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name1-(4-fluoro-2-hydroxyphenyl)-4-morpholin-4-ylbutan-1-one
PubChem CID70592097
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name1-(4-fluoro-2-hydroxyphenyl)-4-morpholin-4-ylbutan-1-one
SMILESO=C(CCCN1CCOCC1)c1ccc(F)cc1O
InChIInChI=1S/C14H18FNO3/c15-11-3-4-12(14(18)10-11)13(17)2-1-5-16-6-8-19-9-7-16/h3-4,10,18H,1-2,5-9H2
InChIKeyLWDVLOKECGGPQQ-UHFFFAOYSA-N
XLogP1.83
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-hydroxyphenyl)-4-morpholin-4-ylbutan-1-one?
The IUPAC name of 1-(4-fluoro-2-hydroxyphenyl)-4-morpholin-4-ylbutan-1-one (CID 70592097) is 1-(4-fluoro-2-hydroxyphenyl)-4-morpholin-4-ylbutan-1-one.
What is the SMILES notation for 1-(4-fluoro-2-hydroxyphenyl)-4-morpholin-4-ylbutan-1-one?
The canonical SMILES for 1-(4-fluoro-2-hydroxyphenyl)-4-morpholin-4-ylbutan-1-one is O=C(CCCN1CCOCC1)c1ccc(F)cc1O.
What is the InChIKey of 1-(4-fluoro-2-hydroxyphenyl)-4-morpholin-4-ylbutan-1-one?
The InChIKey is LWDVLOKECGGPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c15-11-3-4-12(14(18)10-11)13(17)2-1-5-16-6-8-19-9-7-16/h3-4,10,18H,1-2,5-9H2.
What are the key properties of 1-(4-fluoro-2-hydroxyphenyl)-4-morpholin-4-ylbutan-1-one?
1-(4-fluoro-2-hydroxyphenyl)-4-morpholin-4-ylbutan-1-one has a molecular weight of 267.30 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-hydroxyphenyl)-4-morpholin-4-ylbutan-1-one is sourced from PubChem (CID 70592097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).