(E)-4-(2-ethoxy-5-fluorophenyl)pent-3-enoic acid

C13H15FO3 — CID 83959422

IUPAC(E)-4-(2-ethoxy-5-fluorophenyl)pent-3-enoic acid
SMILESCCOc1ccc(F)cc1/C(C)=C/CC(=O)O
InChIInChI=1S/C13H15FO3/c1-3-17-12-6-5-10(14)8-11(12)9(2)4-7-13(15)16/h4-6,8H,3,7H2,1-2H3,(H,15,16)/b9-4+
InChIKeyGZJKPOZBPJOBOJ-RUDMXATFSA-N
MW238.26 g/mol
LogP3.10
Rot. Bonds5

About (E)-4-(2-ethoxy-5-fluorophenyl)pent-3-enoic acid

(E)-4-(2-ethoxy-5-fluorophenyl)pent-3-enoic acid (PubChem CID 83959422) has the molecular formula C13H15FO3 and a molecular weight of 238.26 g/mol. Its IUPAC name is (E)-4-(2-ethoxy-5-fluorophenyl)pent-3-enoic acid.

Molecular Properties

Compound Name(E)-4-(2-ethoxy-5-fluorophenyl)pent-3-enoic acid
PubChem CID83959422
Molecular FormulaC13H15FO3
Molecular Weight238.26 g/mol
Exact Mass238.10
IUPAC Name(E)-4-(2-ethoxy-5-fluorophenyl)pent-3-enoic acid
SMILESCCOc1ccc(F)cc1/C(C)=C/CC(=O)O
InChIInChI=1S/C13H15FO3/c1-3-17-12-6-5-10(14)8-11(12)9(2)4-7-13(15)16/h4-6,8H,3,7H2,1-2H3,(H,15,16)/b9-4+
InChIKeyGZJKPOZBPJOBOJ-RUDMXATFSA-N
XLogP3.10
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (E)-4-(2-ethoxy-5-fluorophenyl)pent-3-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

(E)-4-(2-ethoxy-5-ethylphenyl)pent-3-enoic acid
CID 83959220
2-bromo-1-(2-ethoxy-5-fluorophenyl)propan-1-one
CID 134618705
1-(2-ethoxy-4-fluorophenyl)ethanone
CID 63067474
4-chloro-1-(2-ethoxy-5-fluorophenyl)butan-1-one
CID 82268262
2-(carboxymethoxy)-5-fluorobenzoic acid
CID 13013035
2-(2-ethoxyphenyl)-5-fluorobenzoic acid
CID 55120835
(E)-4-(3,4-diethoxyphenyl)but-3-enoic acid
CID 102534267
5-fluoro-2-prop-2-enoxybenzoic acid
CID 63674181
5-fluoro-2-nonoxybenzoic acid
CID 115297915
1-[2-[(4-ethylphenyl)methoxy]-5-fluorophenyl]ethanone
CID 78992368
(E)-3-(4-ethoxy-3-fluorophenyl)but-2-enoic acid
CID 82287324
2-but-2-ynoxy-5-fluorobenzoic acid
CID 115297884

Frequently Asked Questions

What is the IUPAC name of (E)-4-(2-ethoxy-5-fluorophenyl)pent-3-enoic acid?
The IUPAC name of (E)-4-(2-ethoxy-5-fluorophenyl)pent-3-enoic acid (CID 83959422) is (E)-4-(2-ethoxy-5-fluorophenyl)pent-3-enoic acid.
What is the SMILES notation for (E)-4-(2-ethoxy-5-fluorophenyl)pent-3-enoic acid?
The canonical SMILES for (E)-4-(2-ethoxy-5-fluorophenyl)pent-3-enoic acid is CCOc1ccc(F)cc1/C(C)=C/CC(=O)O.
What is the InChIKey of (E)-4-(2-ethoxy-5-fluorophenyl)pent-3-enoic acid?
The InChIKey is GZJKPOZBPJOBOJ-RUDMXATFSA-N. The full InChI is InChI=1S/C13H15FO3/c1-3-17-12-6-5-10(14)8-11(12)9(2)4-7-13(15)16/h4-6,8H,3,7H2,1-2H3,(H,15,16)/b9-4+.
What are the key properties of (E)-4-(2-ethoxy-5-fluorophenyl)pent-3-enoic acid?
(E)-4-(2-ethoxy-5-fluorophenyl)pent-3-enoic acid has a molecular weight of 238.26 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(2-ethoxy-5-fluorophenyl)pent-3-enoic acid is sourced from PubChem (CID 83959422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).