methyl 2-[4-(5-fluoro-2-hydroxybenzoyl)morpholin-2-yl]acetate

C14H16FNO5 — CID 79883384

IUPACmethyl 2-[4-(5-fluoro-2-hydroxybenzoyl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(C(=O)c2cc(F)ccc2O)CCO1
InChIInChI=1S/C14H16FNO5/c1-20-13(18)7-10-8-16(4-5-21-10)14(19)11-6-9(15)2-3-12(11)17/h2-3,6,10,17H,4-5,7-8H2,1H3
InChIKeyBXDYWDGALJIITH-UHFFFAOYSA-N
MW297.28 g/mol
LogP0.94
Rot. Bonds3

About methyl 2-[4-(5-fluoro-2-hydroxybenzoyl)morpholin-2-yl]acetate

methyl 2-[4-(5-fluoro-2-hydroxybenzoyl)morpholin-2-yl]acetate (PubChem CID 79883384) has the molecular formula C14H16FNO5 and a molecular weight of 297.28 g/mol. Its IUPAC name is methyl 2-[4-(5-fluoro-2-hydroxybenzoyl)morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(5-fluoro-2-hydroxybenzoyl)morpholin-2-yl]acetate
PubChem CID79883384
Molecular FormulaC14H16FNO5
Molecular Weight297.28 g/mol
Exact Mass297.10
IUPAC Namemethyl 2-[4-(5-fluoro-2-hydroxybenzoyl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(C(=O)c2cc(F)ccc2O)CCO1
InChIInChI=1S/C14H16FNO5/c1-20-13(18)7-10-8-16(4-5-21-10)14(19)11-6-9(15)2-3-12(11)17/h2-3,6,10,17H,4-5,7-8H2,1H3
InChIKeyBXDYWDGALJIITH-UHFFFAOYSA-N
XLogP0.94
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(5-fluoro-2-hydroxybenzoyl)morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[4-(5-fluoro-2-hydroxybenzoyl)morpholin-2-yl]acetate (CID 79883384) is methyl 2-[4-(5-fluoro-2-hydroxybenzoyl)morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-(5-fluoro-2-hydroxybenzoyl)morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-(5-fluoro-2-hydroxybenzoyl)morpholin-2-yl]acetate is COC(=O)CC1CN(C(=O)c2cc(F)ccc2O)CCO1.
What is the InChIKey of methyl 2-[4-(5-fluoro-2-hydroxybenzoyl)morpholin-2-yl]acetate?
The InChIKey is BXDYWDGALJIITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO5/c1-20-13(18)7-10-8-16(4-5-21-10)14(19)11-6-9(15)2-3-12(11)17/h2-3,6,10,17H,4-5,7-8H2,1H3.
What are the key properties of methyl 2-[4-(5-fluoro-2-hydroxybenzoyl)morpholin-2-yl]acetate?
methyl 2-[4-(5-fluoro-2-hydroxybenzoyl)morpholin-2-yl]acetate has a molecular weight of 297.28 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(5-fluoro-2-hydroxybenzoyl)morpholin-2-yl]acetate is sourced from PubChem (CID 79883384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).