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

C14H16FNO5 — CID 103830103

IUPACmethyl 2-[4-(4-fluoro-2-hydroxybenzoyl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(C(=O)c2ccc(F)cc2O)CCO1
InChIInChI=1S/C14H16FNO5/c1-20-13(18)7-10-8-16(4-5-21-10)14(19)11-3-2-9(15)6-12(11)17/h2-3,6,10,17H,4-5,7-8H2,1H3
InChIKeyHKWPTZSSZYLSPH-UHFFFAOYSA-N
MW297.28 g/mol
LogP0.94
Rot. Bonds3

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

methyl 2-[4-(4-fluoro-2-hydroxybenzoyl)morpholin-2-yl]acetate (PubChem CID 103830103) has the molecular formula C14H16FNO5 and a molecular weight of 297.28 g/mol. Its IUPAC name is methyl 2-[4-(4-fluoro-2-hydroxybenzoyl)morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(4-fluoro-2-hydroxybenzoyl)morpholin-2-yl]acetate
PubChem CID103830103
Molecular FormulaC14H16FNO5
Molecular Weight297.28 g/mol
Exact Mass297.10
IUPAC Namemethyl 2-[4-(4-fluoro-2-hydroxybenzoyl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(C(=O)c2ccc(F)cc2O)CCO1
InChIInChI=1S/C14H16FNO5/c1-20-13(18)7-10-8-16(4-5-21-10)14(19)11-3-2-9(15)6-12(11)17/h2-3,6,10,17H,4-5,7-8H2,1H3
InChIKeyHKWPTZSSZYLSPH-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

Analyze methyl 2-[4-(4-fluoro-2-hydroxybenzoyl)morpholin-2-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(4-fluoro-2-hydroxybenzoyl)morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[4-(4-fluoro-2-hydroxybenzoyl)morpholin-2-yl]acetate (CID 103830103) is methyl 2-[4-(4-fluoro-2-hydroxybenzoyl)morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-(4-fluoro-2-hydroxybenzoyl)morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-(4-fluoro-2-hydroxybenzoyl)morpholin-2-yl]acetate is COC(=O)CC1CN(C(=O)c2ccc(F)cc2O)CCO1.
What is the InChIKey of methyl 2-[4-(4-fluoro-2-hydroxybenzoyl)morpholin-2-yl]acetate?
The InChIKey is HKWPTZSSZYLSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO5/c1-20-13(18)7-10-8-16(4-5-21-10)14(19)11-3-2-9(15)6-12(11)17/h2-3,6,10,17H,4-5,7-8H2,1H3.
What are the key properties of methyl 2-[4-(4-fluoro-2-hydroxybenzoyl)morpholin-2-yl]acetate?
methyl 2-[4-(4-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-(4-fluoro-2-hydroxybenzoyl)morpholin-2-yl]acetate is sourced from PubChem (CID 103830103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).