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

C17H15FO3 — CID 105372222

IUPAC(E)-3-[3-[(5-fluoro-2-methylphenyl)methoxy]phenyl]prop-2-enoic acid
SMILESCc1ccc(F)cc1COc1cccc(/C=C/C(=O)O)c1
InChIInChI=1S/C17H15FO3/c1-12-5-7-15(18)10-14(12)11-21-16-4-2-3-13(9-16)6-8-17(19)20/h2-10H,11H2,1H3,(H,19,20)/b8-6+
InChIKeyUKVIWJOSXPRUHN-SOFGYWHQSA-N
MW286.30 g/mol
LogP3.81
Rot. Bonds5

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

(E)-3-[3-[(5-fluoro-2-methylphenyl)methoxy]phenyl]prop-2-enoic acid (PubChem CID 105372222) has the molecular formula C17H15FO3 and a molecular weight of 286.30 g/mol. Its IUPAC name is (E)-3-[3-[(5-fluoro-2-methylphenyl)methoxy]phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[3-[(5-fluoro-2-methylphenyl)methoxy]phenyl]prop-2-enoic acid
PubChem CID105372222
Molecular FormulaC17H15FO3
Molecular Weight286.30 g/mol
Exact Mass286.10
IUPAC Name(E)-3-[3-[(5-fluoro-2-methylphenyl)methoxy]phenyl]prop-2-enoic acid
SMILESCc1ccc(F)cc1COc1cccc(/C=C/C(=O)O)c1
InChIInChI=1S/C17H15FO3/c1-12-5-7-15(18)10-14(12)11-21-16-4-2-3-13(9-16)6-8-17(19)20/h2-10H,11H2,1H3,(H,19,20)/b8-6+
InChIKeyUKVIWJOSXPRUHN-SOFGYWHQSA-N
XLogP3.81
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-3-[3-[(5-fluoro-2-methylphenyl)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-[(4-fluorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 42201925
(E)-3-[3-[(3-fluorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 29018393
(Z)-3-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]prop-2-enoic acid
CID 97301415
3-[3-fluoro-4-(phenoxymethyl)phenyl]prop-2-enoic acid
CID 76908633
3-[3-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]phenyl]prop-2-enoic acid
CID 22683970
1-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]ethanone
CID 105371730
3-(3-butoxyphenyl)prop-2-enoic acid
CID 54374126
(E)-3-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]prop-2-enoic acid
CID 29018302
2-fluoro-4-[(5-fluoro-2-methylphenyl)methoxy]benzoic acid
CID 107675308
3-(3-prop-2-enoxyphenyl)prop-2-enoic acid
CID 74580611
(E)-3-[3-(3,3-dimethylbutoxy)phenyl]prop-2-enoic acid
CID 94208108
(E)-3-[3-[(3-chlorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 42303981

Frequently Asked Questions

What is the IUPAC name of (E)-3-[3-[(5-fluoro-2-methylphenyl)methoxy]phenyl]prop-2-enoic acid?
The IUPAC name of (E)-3-[3-[(5-fluoro-2-methylphenyl)methoxy]phenyl]prop-2-enoic acid (CID 105372222) is (E)-3-[3-[(5-fluoro-2-methylphenyl)methoxy]phenyl]prop-2-enoic acid.
What is the SMILES notation for (E)-3-[3-[(5-fluoro-2-methylphenyl)methoxy]phenyl]prop-2-enoic acid?
The canonical SMILES for (E)-3-[3-[(5-fluoro-2-methylphenyl)methoxy]phenyl]prop-2-enoic acid is Cc1ccc(F)cc1COc1cccc(/C=C/C(=O)O)c1.
What is the InChIKey of (E)-3-[3-[(5-fluoro-2-methylphenyl)methoxy]phenyl]prop-2-enoic acid?
The InChIKey is UKVIWJOSXPRUHN-SOFGYWHQSA-N. The full InChI is InChI=1S/C17H15FO3/c1-12-5-7-15(18)10-14(12)11-21-16-4-2-3-13(9-16)6-8-17(19)20/h2-10H,11H2,1H3,(H,19,20)/b8-6+.
What are the key properties of (E)-3-[3-[(5-fluoro-2-methylphenyl)methoxy]phenyl]prop-2-enoic acid?
(E)-3-[3-[(5-fluoro-2-methylphenyl)methoxy]phenyl]prop-2-enoic acid has a molecular weight of 286.30 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[3-[(5-fluoro-2-methylphenyl)methoxy]phenyl]prop-2-enoic acid is sourced from PubChem (CID 105372222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).