2-[4-[1-(4-fluoro-2-hydroxyphenyl)ethyl]morpholin-2-yl]acetic acid

C14H18FNO4 — CID 66433155

IUPAC2-[4-[1-(4-fluoro-2-hydroxyphenyl)ethyl]morpholin-2-yl]acetic acid
SMILESCC(c1ccc(F)cc1O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C14H18FNO4/c1-9(12-3-2-10(15)6-13(12)17)16-4-5-20-11(8-16)7-14(18)19/h2-3,6,9,11,17H,4-5,7-8H2,1H3,(H,18,19)
InChIKeyCVPLILLVUIZEGQ-UHFFFAOYSA-N
MW283.30 g/mol
LogP1.77
Rot. Bonds4

About 2-[4-[1-(4-fluoro-2-hydroxyphenyl)ethyl]morpholin-2-yl]acetic acid

2-[4-[1-(4-fluoro-2-hydroxyphenyl)ethyl]morpholin-2-yl]acetic acid (PubChem CID 66433155) has the molecular formula C14H18FNO4 and a molecular weight of 283.30 g/mol. Its IUPAC name is 2-[4-[1-(4-fluoro-2-hydroxyphenyl)ethyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[1-(4-fluoro-2-hydroxyphenyl)ethyl]morpholin-2-yl]acetic acid
PubChem CID66433155
Molecular FormulaC14H18FNO4
Molecular Weight283.30 g/mol
Exact Mass283.12
IUPAC Name2-[4-[1-(4-fluoro-2-hydroxyphenyl)ethyl]morpholin-2-yl]acetic acid
SMILESCC(c1ccc(F)cc1O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C14H18FNO4/c1-9(12-3-2-10(15)6-13(12)17)16-4-5-20-11(8-16)7-14(18)19/h2-3,6,9,11,17H,4-5,7-8H2,1H3,(H,18,19)
InChIKeyCVPLILLVUIZEGQ-UHFFFAOYSA-N
XLogP1.77
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-[4-[1-(4-fluoro-2-hydroxyphenyl)ethyl]morpholin-2-yl]acetic acid 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 2-[4-[1-(4-fluoro-2-hydroxyphenyl)ethyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[1-(4-fluoro-2-hydroxyphenyl)ethyl]morpholin-2-yl]acetic acid (CID 66433155) is 2-[4-[1-(4-fluoro-2-hydroxyphenyl)ethyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[1-(4-fluoro-2-hydroxyphenyl)ethyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[1-(4-fluoro-2-hydroxyphenyl)ethyl]morpholin-2-yl]acetic acid is CC(c1ccc(F)cc1O)N1CCOC(CC(=O)O)C1.
What is the InChIKey of 2-[4-[1-(4-fluoro-2-hydroxyphenyl)ethyl]morpholin-2-yl]acetic acid?
The InChIKey is CVPLILLVUIZEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO4/c1-9(12-3-2-10(15)6-13(12)17)16-4-5-20-11(8-16)7-14(18)19/h2-3,6,9,11,17H,4-5,7-8H2,1H3,(H,18,19).
What are the key properties of 2-[4-[1-(4-fluoro-2-hydroxyphenyl)ethyl]morpholin-2-yl]acetic acid?
2-[4-[1-(4-fluoro-2-hydroxyphenyl)ethyl]morpholin-2-yl]acetic acid has a molecular weight of 283.30 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(4-fluoro-2-hydroxyphenyl)ethyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 66433155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).