(Z)-2-ethoxy-3-[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-fluoroethoxy]phenyl]prop-2-enoic acid

C20H22FNO4 — CID 71182854

IUPAC(Z)-2-ethoxy-3-[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-fluoroethoxy]phenyl]prop-2-enoic acid
SMILESCCO/C(=C\c1ccc(OC[C@H](F)c2ccc(CC)cn2)cc1)C(=O)O
InChIInChI=1S/C20H22FNO4/c1-3-14-7-10-18(22-12-14)17(21)13-26-16-8-5-15(6-9-16)11-19(20(23)24)25-4-2/h5-12,17H,3-4,13H2,1-2H3,(H,23,24)/b19-11-/t17-/m0/s1
InChIKeyDGFCBEZLIJMSKG-BEWREHSGSA-N
MW359.40 g/mol
LogP4.20
Rot. Bonds9

About (Z)-2-ethoxy-3-[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-fluoroethoxy]phenyl]prop-2-enoic acid

(Z)-2-ethoxy-3-[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-fluoroethoxy]phenyl]prop-2-enoic acid (PubChem CID 71182854) has the molecular formula C20H22FNO4 and a molecular weight of 359.40 g/mol. Its IUPAC name is (Z)-2-ethoxy-3-[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-fluoroethoxy]phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-ethoxy-3-[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-fluoroethoxy]phenyl]prop-2-enoic acid
PubChem CID71182854
Molecular FormulaC20H22FNO4
Molecular Weight359.40 g/mol
Exact Mass359.15
IUPAC Name(Z)-2-ethoxy-3-[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-fluoroethoxy]phenyl]prop-2-enoic acid
SMILESCCO/C(=C\c1ccc(OC[C@H](F)c2ccc(CC)cn2)cc1)C(=O)O
InChIInChI=1S/C20H22FNO4/c1-3-14-7-10-18(22-12-14)17(21)13-26-16-8-5-15(6-9-16)11-19(20(23)24)25-4-2/h5-12,17H,3-4,13H2,1-2H3,(H,23,24)/b19-11-/t17-/m0/s1
InChIKeyDGFCBEZLIJMSKG-BEWREHSGSA-N
XLogP4.20
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-2-ethoxy-3-[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-fluoroethoxy]phenyl]prop-2-enoic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-ethoxy-3-(4-ethylphenyl)prop-2-enoic acid
CID 139651424
(Z)-2-ethoxy-3-[4-[2-(5-ethyl-2-pyridinyl)-2-(hydroxymethylimino)ethoxy]phenyl]prop-2-enoic acid
CID 148572944
(Z)-2-ethoxy-3-[4-[(2S)-2-fluoro-2-(3-methoxyphenyl)ethoxy]phenyl]prop-2-enoic acid
CID 71182860
2-(2,3-dihydroxypropoxy)-3-[4-(2,3-dihydroxypropoxy)phenyl]prop-2-enoic acid
CID 57052843
3-(4-acetylphenyl)-2-ethoxyprop-2-enoic acid
CID 139651231
2-(4-ethylphenoxy)-3-(4-prop-2-enoxyphenyl)prop-2-enoic acid
CID 139651429
5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-fluoroethoxy]phenyl]methyl]-1,3-thiazolidine
CID 141312441
(5Z)-5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 163516452
5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 73050415
2-bromo-3-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]prop-2-enoic acid
CID 141245555
2-(4-ethylphenoxy)-3-[4-(2-methylpropyl)phenyl]prop-2-enoic acid
CID 139651348
2-hexoxy-3-(4-hexoxyphenyl)prop-2-enoic acid
CID 139651291

Frequently Asked Questions

What is the IUPAC name of (Z)-2-ethoxy-3-[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-fluoroethoxy]phenyl]prop-2-enoic acid?
The IUPAC name of (Z)-2-ethoxy-3-[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-fluoroethoxy]phenyl]prop-2-enoic acid (CID 71182854) is (Z)-2-ethoxy-3-[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-fluoroethoxy]phenyl]prop-2-enoic acid.
What is the SMILES notation for (Z)-2-ethoxy-3-[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-fluoroethoxy]phenyl]prop-2-enoic acid?
The canonical SMILES for (Z)-2-ethoxy-3-[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-fluoroethoxy]phenyl]prop-2-enoic acid is CCO/C(=C\c1ccc(OC[C@H](F)c2ccc(CC)cn2)cc1)C(=O)O.
What is the InChIKey of (Z)-2-ethoxy-3-[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-fluoroethoxy]phenyl]prop-2-enoic acid?
The InChIKey is DGFCBEZLIJMSKG-BEWREHSGSA-N. The full InChI is InChI=1S/C20H22FNO4/c1-3-14-7-10-18(22-12-14)17(21)13-26-16-8-5-15(6-9-16)11-19(20(23)24)25-4-2/h5-12,17H,3-4,13H2,1-2H3,(H,23,24)/b19-11-/t17-/m0/s1.
What are the key properties of (Z)-2-ethoxy-3-[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-fluoroethoxy]phenyl]prop-2-enoic acid?
(Z)-2-ethoxy-3-[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-fluoroethoxy]phenyl]prop-2-enoic acid has a molecular weight of 359.40 g/mol, XLogP of 4.20, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-ethoxy-3-[4-[(2R)-2-(5-ethyl-2-pyridinyl)-2-fluoroethoxy]phenyl]prop-2-enoic acid is sourced from PubChem (CID 71182854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).