methyl 3-[4-[(2-fluorophenyl)methoxy]phenyl]prop-2-enoate

C17H15FO3 — CID 131847800

IUPACmethyl 3-[4-[(2-fluorophenyl)methoxy]phenyl]prop-2-enoate
SMILESCOC(=O)C=Cc1ccc(OCc2ccccc2F)cc1
InChIInChI=1S/C17H15FO3/c1-20-17(19)11-8-13-6-9-15(10-7-13)21-12-14-4-2-3-5-16(14)18/h2-11H,12H2,1H3
InChIKeyXFQKJZZIDRPCFP-UHFFFAOYSA-N
MW286.30 g/mol
LogP3.59
Rot. Bonds5

About methyl 3-[4-[(2-fluorophenyl)methoxy]phenyl]prop-2-enoate

methyl 3-[4-[(2-fluorophenyl)methoxy]phenyl]prop-2-enoate (PubChem CID 131847800) has the molecular formula C17H15FO3 and a molecular weight of 286.30 g/mol. Its IUPAC name is methyl 3-[4-[(2-fluorophenyl)methoxy]phenyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-[4-[(2-fluorophenyl)methoxy]phenyl]prop-2-enoate
PubChem CID131847800
Molecular FormulaC17H15FO3
Molecular Weight286.30 g/mol
Exact Mass286.10
IUPAC Namemethyl 3-[4-[(2-fluorophenyl)methoxy]phenyl]prop-2-enoate
SMILESCOC(=O)C=Cc1ccc(OCc2ccccc2F)cc1
InChIInChI=1S/C17H15FO3/c1-20-17(19)11-8-13-6-9-15(10-7-13)21-12-14-4-2-3-5-16(14)18/h2-11H,12H2,1H3
InChIKeyXFQKJZZIDRPCFP-UHFFFAOYSA-N
XLogP3.59
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 3-[4-[(2-fluorophenyl)methoxy]phenyl]prop-2-enoate 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

methyl (E)-3-[4-[(2-chlorophenyl)methoxy]phenyl]prop-2-enoate
CID 17245052
methyl (E)-3-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]prop-2-enoate
CID 91684683
(4-nitrophenyl) (E)-3-[4-[(2-fluorophenyl)methoxy]phenyl]prop-2-enoate
CID 98469177
(2-fluorophenyl)methyl (Z)-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enoate
CID 97357513
methyl (E)-3-(4-ethoxyphenyl)prop-2-enoate
CID 13208556
methyl (E)-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]prop-2-enoate
CID 17245057
(2-fluorophenyl)methyl (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate
CID 8664716
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 9011066
ethyl (E)-3-[4-[(2-chlorophenyl)methoxy]phenyl]prop-2-enoate
CID 91684542
[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]urea
CID 6872564
methyl 3-[4-(2-phenylethenyl)phenyl]prop-2-enoate
CID 622059
methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 641297

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[(2-fluorophenyl)methoxy]phenyl]prop-2-enoate?
The IUPAC name of methyl 3-[4-[(2-fluorophenyl)methoxy]phenyl]prop-2-enoate (CID 131847800) is methyl 3-[4-[(2-fluorophenyl)methoxy]phenyl]prop-2-enoate.
What is the SMILES notation for methyl 3-[4-[(2-fluorophenyl)methoxy]phenyl]prop-2-enoate?
The canonical SMILES for methyl 3-[4-[(2-fluorophenyl)methoxy]phenyl]prop-2-enoate is COC(=O)C=Cc1ccc(OCc2ccccc2F)cc1.
What is the InChIKey of methyl 3-[4-[(2-fluorophenyl)methoxy]phenyl]prop-2-enoate?
The InChIKey is XFQKJZZIDRPCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FO3/c1-20-17(19)11-8-13-6-9-15(10-7-13)21-12-14-4-2-3-5-16(14)18/h2-11H,12H2,1H3.
What are the key properties of methyl 3-[4-[(2-fluorophenyl)methoxy]phenyl]prop-2-enoate?
methyl 3-[4-[(2-fluorophenyl)methoxy]phenyl]prop-2-enoate has a molecular weight of 286.30 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-[(2-fluorophenyl)methoxy]phenyl]prop-2-enoate is sourced from PubChem (CID 131847800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).