(E)-3-[3-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]prop-2-enoic acid

C15H17FO4 — CID 103135474

IUPAC(E)-3-[3-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]prop-2-enoic acid
SMILESCC1CCC(COc2c(F)cccc2/C=C/C(=O)O)O1
InChIInChI=1S/C15H17FO4/c1-10-5-7-12(20-10)9-19-15-11(6-8-14(17)18)3-2-4-13(15)16/h2-4,6,8,10,12H,5,7,9H2,1H3,(H,17,18)/b8-6+
InChIKeyAUYBZVBLAREBCE-SOFGYWHQSA-N
MW280.30 g/mol
LogP2.87
Rot. Bonds5

About (E)-3-[3-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]prop-2-enoic acid

(E)-3-[3-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]prop-2-enoic acid (PubChem CID 103135474) has the molecular formula C15H17FO4 and a molecular weight of 280.30 g/mol. Its IUPAC name is (E)-3-[3-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[3-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]prop-2-enoic acid
PubChem CID103135474
Molecular FormulaC15H17FO4
Molecular Weight280.30 g/mol
Exact Mass280.11
IUPAC Name(E)-3-[3-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]prop-2-enoic acid
SMILESCC1CCC(COc2c(F)cccc2/C=C/C(=O)O)O1
InChIInChI=1S/C15H17FO4/c1-10-5-7-12(20-10)9-19-15-11(6-8-14(17)18)3-2-4-13(15)16/h2-4,6,8,10,12H,5,7,9H2,1H3,(H,17,18)/b8-6+
InChIKeyAUYBZVBLAREBCE-SOFGYWHQSA-N
XLogP2.87
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-3-[3-fluoro-2-[(5-methyloxolan-2-yl)methoxy]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

(E)-3-[3-fluoro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]prop-2-enoic acid
CID 115957029
(E)-3-[3-fluoro-2-(oxolan-3-ylmethoxy)phenyl]prop-2-enoic acid
CID 112614259
(E)-3-[3-fluoro-2-(2-methoxyethoxy)phenyl]prop-2-enoic acid
CID 112614242
(E)-3-[2-(3-amino-2-methyl-3-oxopropoxy)-3-fluorophenyl]prop-2-enoic acid
CID 112614246
(E)-3-[3-fluoro-2-[2-(methylamino)-2-oxoethoxy]phenyl]prop-2-enoic acid
CID 112614281
(E)-3-[3-fluoro-2-(2-methylsulfonylethoxy)phenyl]prop-2-enoic acid
CID 112614308
(E)-3-[3-fluoro-2-(3-methoxy-3-oxopropoxy)phenyl]prop-2-enoic acid
CID 112614264
(E)-3-[3-fluoro-2-(pyrimidin-2-ylmethoxy)phenyl]prop-2-enoic acid
CID 115956976
(E)-3-[3-fluoro-2-[(4-fluorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 115956926
(E)-3-[2-[2-(ethylamino)-2-oxoethoxy]-3-fluorophenyl]prop-2-enoic acid
CID 112614254
(E)-3-[3-chloro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]prop-2-enoic acid
CID 103135461
3-amino-2-[(5-methyloxolan-2-yl)methoxy]benzoic acid
CID 107077325

Frequently Asked Questions

What is the IUPAC name of (E)-3-[3-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]prop-2-enoic acid?
The IUPAC name of (E)-3-[3-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]prop-2-enoic acid (CID 103135474) is (E)-3-[3-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]prop-2-enoic acid.
What is the SMILES notation for (E)-3-[3-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]prop-2-enoic acid?
The canonical SMILES for (E)-3-[3-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]prop-2-enoic acid is CC1CCC(COc2c(F)cccc2/C=C/C(=O)O)O1.
What is the InChIKey of (E)-3-[3-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]prop-2-enoic acid?
The InChIKey is AUYBZVBLAREBCE-SOFGYWHQSA-N. The full InChI is InChI=1S/C15H17FO4/c1-10-5-7-12(20-10)9-19-15-11(6-8-14(17)18)3-2-4-13(15)16/h2-4,6,8,10,12H,5,7,9H2,1H3,(H,17,18)/b8-6+.
What are the key properties of (E)-3-[3-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]prop-2-enoic acid?
(E)-3-[3-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]prop-2-enoic acid has a molecular weight of 280.30 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[3-fluoro-2-[(5-methyloxolan-2-yl)methoxy]phenyl]prop-2-enoic acid is sourced from PubChem (CID 103135474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).