3-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]prop-2-enoic acid

C17H15FO3 — CID 77011444

IUPAC3-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]prop-2-enoic acid
SMILESCc1ccc(OCc2ccc(F)cc2)c(C=CC(=O)O)c1
InChIInChI=1S/C17H15FO3/c1-12-2-8-16(14(10-12)5-9-17(19)20)21-11-13-3-6-15(18)7-4-13/h2-10H,11H2,1H3,(H,19,20)
InChIKeyIVBHCFLJEVIMGB-UHFFFAOYSA-N
MW286.30 g/mol
LogP3.81
Rot. Bonds5

About 3-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]prop-2-enoic acid

3-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]prop-2-enoic acid (PubChem CID 77011444) has the molecular formula C17H15FO3 and a molecular weight of 286.30 g/mol. Its IUPAC name is 3-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]prop-2-enoic acid.

Molecular Properties

Compound Name3-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]prop-2-enoic acid
PubChem CID77011444
Molecular FormulaC17H15FO3
Molecular Weight286.30 g/mol
Exact Mass286.10
IUPAC Name3-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]prop-2-enoic acid
SMILESCc1ccc(OCc2ccc(F)cc2)c(C=CC(=O)O)c1
InChIInChI=1S/C17H15FO3/c1-12-2-8-16(14(10-12)5-9-17(19)20)21-11-13-3-6-15(18)7-4-13/h2-10H,11H2,1H3,(H,19,20)
InChIKeyIVBHCFLJEVIMGB-UHFFFAOYSA-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 3-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]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)-4-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]-4-oxobut-2-enoic acid
CID 82051890
3-(2-ethoxy-5-methylphenyl)prop-2-enoic acid
CID 77011473
3-(5-methyl-2-propoxyphenyl)prop-2-enoic acid
CID 77011388
(E)-3-[2-(2,2-difluoroethoxy)-5-methylphenyl]prop-2-enoic acid
CID 55201299
(E)-3-[2-[(5-bromo-3-pyridinyl)methoxy]-5-methylphenyl]prop-2-enoic acid
CID 104799304
(E)-3-[5-fluoro-2-(thiophen-3-ylmethoxy)phenyl]prop-2-enoic acid
CID 107699473
(E)-3-[5-bromo-2-[(3-methylphenyl)methoxy]phenyl]prop-2-enoic acid
CID 42311469
(Z)-3-[3-amino-4-[(4-fluorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 82152628
3-[5-methyl-2-(3-methylbut-2-enoxy)phenyl]prop-2-enoic acid
CID 77011485
(E)-3-[5-methyl-2-(2-methylprop-2-enoxy)phenyl]prop-2-enoic acid
CID 55201300
3-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 900841
3-[2-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]prop-2-enoic acid
CID 1008179

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]prop-2-enoic acid?
The IUPAC name of 3-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]prop-2-enoic acid (CID 77011444) is 3-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]prop-2-enoic acid.
What is the SMILES notation for 3-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]prop-2-enoic acid?
The canonical SMILES for 3-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]prop-2-enoic acid is Cc1ccc(OCc2ccc(F)cc2)c(C=CC(=O)O)c1.
What is the InChIKey of 3-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]prop-2-enoic acid?
The InChIKey is IVBHCFLJEVIMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FO3/c1-12-2-8-16(14(10-12)5-9-17(19)20)21-11-13-3-6-15(18)7-4-13/h2-10H,11H2,1H3,(H,19,20).
What are the key properties of 3-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]prop-2-enoic acid?
3-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]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 3-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]prop-2-enoic acid is sourced from PubChem (CID 77011444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).