2-[4-[1-(2-fluoro-4-hydroxyphenyl)ethyl]morpholin-3-yl]acetic acid

C14H18FNO4 — CID 107720928

IUPAC2-[4-[1-(2-fluoro-4-hydroxyphenyl)ethyl]morpholin-3-yl]acetic acid
SMILESCC(c1ccc(O)cc1F)N1CCOCC1CC(=O)O
InChIInChI=1S/C14H18FNO4/c1-9(12-3-2-11(17)7-13(12)15)16-4-5-20-8-10(16)6-14(18)19/h2-3,7,9-10,17H,4-6,8H2,1H3,(H,18,19)
InChIKeyLXZSCXXYPFYNFO-UHFFFAOYSA-N
MW283.30 g/mol
LogP1.77
Rot. Bonds4

About 2-[4-[1-(2-fluoro-4-hydroxyphenyl)ethyl]morpholin-3-yl]acetic acid

2-[4-[1-(2-fluoro-4-hydroxyphenyl)ethyl]morpholin-3-yl]acetic acid (PubChem CID 107720928) has the molecular formula C14H18FNO4 and a molecular weight of 283.30 g/mol. Its IUPAC name is 2-[4-[1-(2-fluoro-4-hydroxyphenyl)ethyl]morpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[1-(2-fluoro-4-hydroxyphenyl)ethyl]morpholin-3-yl]acetic acid
PubChem CID107720928
Molecular FormulaC14H18FNO4
Molecular Weight283.30 g/mol
Exact Mass283.12
IUPAC Name2-[4-[1-(2-fluoro-4-hydroxyphenyl)ethyl]morpholin-3-yl]acetic acid
SMILESCC(c1ccc(O)cc1F)N1CCOCC1CC(=O)O
InChIInChI=1S/C14H18FNO4/c1-9(12-3-2-11(17)7-13(12)15)16-4-5-20-8-10(16)6-14(18)19/h2-3,7,9-10,17H,4-6,8H2,1H3,(H,18,19)
InChIKeyLXZSCXXYPFYNFO-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

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Related Compounds

4-[1-(5-ethyl-2-methylmorpholin-4-yl)ethyl]-3-fluorophenol
CID 107720941
2-[4-(2,5-dihydroxybenzoyl)morpholin-3-yl]acetic acid
CID 107721744
3-[4-(1-phenylethyl)morpholin-3-yl]propanoic acid
CID 117009393
2-[4-(2-propan-2-ylphenyl)morpholin-3-yl]acetic acid
CID 117009349
2-[4-[(3-hydroxyphenyl)-methylcarbamoyl]morpholin-3-yl]acetic acid
CID 107737154
2-[4-(2-fluoro-4-methylbenzoyl)morpholin-3-yl]acetic acid
CID 56892320
3-fluoro-4-[1-[methyl(oxolan-3-yl)amino]ethyl]phenol
CID 107721166
2-[4-[1-(2,4-difluorophenyl)ethyl]morpholin-2-yl]acetic acid
CID 66435876
2-[4-(4-fluoro-2-hydroxybenzoyl)morpholin-3-yl]acetic acid
CID 107013727
2-[(3R)-4-(3-fluoro-4-methoxybenzoyl)morpholin-3-yl]acetic acid
CID 129381420
3-fluoro-4-[1-(1-oxo-1,4-thiazinan-4-yl)ethyl]phenol
CID 107721024
2-[4-(4-methylphenyl)morpholin-3-yl]acetic acid
CID 117009339

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(2-fluoro-4-hydroxyphenyl)ethyl]morpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-[1-(2-fluoro-4-hydroxyphenyl)ethyl]morpholin-3-yl]acetic acid (CID 107720928) is 2-[4-[1-(2-fluoro-4-hydroxyphenyl)ethyl]morpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-[1-(2-fluoro-4-hydroxyphenyl)ethyl]morpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-[1-(2-fluoro-4-hydroxyphenyl)ethyl]morpholin-3-yl]acetic acid is CC(c1ccc(O)cc1F)N1CCOCC1CC(=O)O.
What is the InChIKey of 2-[4-[1-(2-fluoro-4-hydroxyphenyl)ethyl]morpholin-3-yl]acetic acid?
The InChIKey is LXZSCXXYPFYNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO4/c1-9(12-3-2-11(17)7-13(12)15)16-4-5-20-8-10(16)6-14(18)19/h2-3,7,9-10,17H,4-6,8H2,1H3,(H,18,19).
What are the key properties of 2-[4-[1-(2-fluoro-4-hydroxyphenyl)ethyl]morpholin-3-yl]acetic acid?
2-[4-[1-(2-fluoro-4-hydroxyphenyl)ethyl]morpholin-3-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-(2-fluoro-4-hydroxyphenyl)ethyl]morpholin-3-yl]acetic acid is sourced from PubChem (CID 107720928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).