(E)-3-[3-fluoro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]prop-2-enoic acid

C15H18FNO4 — CID 115957029

IUPAC(E)-3-[3-fluoro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]prop-2-enoic acid
SMILESCN1CCOC(COc2c(F)cccc2/C=C/C(=O)O)C1
InChIInChI=1S/C15H18FNO4/c1-17-7-8-20-12(9-17)10-21-15-11(5-6-14(18)19)3-2-4-13(15)16/h2-6,12H,7-10H2,1H3,(H,18,19)/b6-5+
InChIKeyJEARTRZDERUULS-AATRIKPKSA-N
MW295.31 g/mol
LogP1.63
Rot. Bonds5

About (E)-3-[3-fluoro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]prop-2-enoic acid

(E)-3-[3-fluoro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]prop-2-enoic acid (PubChem CID 115957029) has the molecular formula C15H18FNO4 and a molecular weight of 295.31 g/mol. Its IUPAC name is (E)-3-[3-fluoro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[3-fluoro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]prop-2-enoic acid
PubChem CID115957029
Molecular FormulaC15H18FNO4
Molecular Weight295.31 g/mol
Exact Mass295.12
IUPAC Name(E)-3-[3-fluoro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]prop-2-enoic acid
SMILESCN1CCOC(COc2c(F)cccc2/C=C/C(=O)O)C1
InChIInChI=1S/C15H18FNO4/c1-17-7-8-20-12(9-17)10-21-15-11(5-6-14(18)19)3-2-4-13(15)16/h2-6,12H,7-10H2,1H3,(H,18,19)/b6-5+
InChIKeyJEARTRZDERUULS-AATRIKPKSA-N
XLogP1.63
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[3-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]prop-2-enoic acid
CID 103135474
but-2-enedioic acid;2-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxymethyl]-4-methylmorpholine
CID 67584301
(E)-3-[3-fluoro-2-(oxolan-3-ylmethoxy)phenyl]prop-2-enoic acid
CID 112614259
2-[(4-ethylmorpholin-2-yl)methoxy]-3-fluorobenzaldehyde
CID 112611692
3-bromo-2-[(4-methylmorpholin-2-yl)methoxy]benzoic acid
CID 79171337
3-[(4-methylmorpholin-2-yl)methoxy]benzoic acid
CID 79166366
(E)-3-[3-fluoro-2-(2-methoxyethoxy)phenyl]prop-2-enoic acid
CID 112614242
(E)-3-[3-fluoro-2-[2-(methylamino)-2-oxoethoxy]phenyl]prop-2-enoic acid
CID 112614281
[3-chloro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanol
CID 112612743
(E)-3-[3-fluoro-2-[(1-methyltriazol-4-yl)methoxy]phenyl]prop-2-enoic acid
CID 107044193
(E)-3-[2-[2-(ethylamino)-2-oxoethoxy]-3-fluorophenyl]prop-2-enoic acid
CID 112614254
(E)-3-[2-[(2,5-dimethylpyrazol-3-yl)methoxy]-3-fluorophenyl]prop-2-enoic acid
CID 115956938

Frequently Asked Questions

What is the IUPAC name of (E)-3-[3-fluoro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]prop-2-enoic acid?
The IUPAC name of (E)-3-[3-fluoro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]prop-2-enoic acid (CID 115957029) is (E)-3-[3-fluoro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]prop-2-enoic acid.
What is the SMILES notation for (E)-3-[3-fluoro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]prop-2-enoic acid?
The canonical SMILES for (E)-3-[3-fluoro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]prop-2-enoic acid is CN1CCOC(COc2c(F)cccc2/C=C/C(=O)O)C1.
What is the InChIKey of (E)-3-[3-fluoro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]prop-2-enoic acid?
The InChIKey is JEARTRZDERUULS-AATRIKPKSA-N. The full InChI is InChI=1S/C15H18FNO4/c1-17-7-8-20-12(9-17)10-21-15-11(5-6-14(18)19)3-2-4-13(15)16/h2-6,12H,7-10H2,1H3,(H,18,19)/b6-5+.
What are the key properties of (E)-3-[3-fluoro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]prop-2-enoic acid?
(E)-3-[3-fluoro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]prop-2-enoic acid has a molecular weight of 295.31 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[3-fluoro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]prop-2-enoic acid is sourced from PubChem (CID 115957029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).