methyl 2-[(E)-1-fluoro-2-(2-methoxyphenyl)ethenyl]benzoate

C17H15FO3 — CID 146798772

IUPACmethyl 2-[(E)-1-fluoro-2-(2-methoxyphenyl)ethenyl]benzoate
SMILESCOC(=O)c1ccccc1/C(F)=C\c1ccccc1OC
InChIInChI=1S/C17H15FO3/c1-20-16-10-6-3-7-12(16)11-15(18)13-8-4-5-9-14(13)17(19)21-2/h3-11H,1-2H3/b15-11+
InChIKeyRXJWCZTUPZNHBL-RVDMUPIBSA-N
MW286.30 g/mol
LogP3.95
Rot. Bonds4

About methyl 2-[(E)-1-fluoro-2-(2-methoxyphenyl)ethenyl]benzoate

methyl 2-[(E)-1-fluoro-2-(2-methoxyphenyl)ethenyl]benzoate (PubChem CID 146798772) has the molecular formula C17H15FO3 and a molecular weight of 286.30 g/mol. Its IUPAC name is methyl 2-[(E)-1-fluoro-2-(2-methoxyphenyl)ethenyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(E)-1-fluoro-2-(2-methoxyphenyl)ethenyl]benzoate
PubChem CID146798772
Molecular FormulaC17H15FO3
Molecular Weight286.30 g/mol
Exact Mass286.10
IUPAC Namemethyl 2-[(E)-1-fluoro-2-(2-methoxyphenyl)ethenyl]benzoate
SMILESCOC(=O)c1ccccc1/C(F)=C\c1ccccc1OC
InChIInChI=1S/C17H15FO3/c1-20-16-10-6-3-7-12(16)11-15(18)13-8-4-5-9-14(13)17(19)21-2/h3-11H,1-2H3/b15-11+
InChIKeyRXJWCZTUPZNHBL-RVDMUPIBSA-N
XLogP3.95
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 178037044
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methyl 2-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]benzoate
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dimethyl benzene-1,2-dicarboxylate;methane
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methyl (Z)-2-methoxy-3-(2-methoxyphenyl)prop-2-enoate
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CID 6424506
methyl 2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]benzoate
CID 892842
N-[(E)-1-(2-methoxyphenyl)prop-1-en-2-yl]acetamide
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methyl 2-[1-(2-bromo-4,5-dimethoxyphenyl)-3-methoxy-3-oxoprop-1-en-2-yl]benzoate
CID 67756121
methyl (2Z)-2-[(2-methoxyphenyl)methylidene]-3-oxobutanoate
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CID 87977206

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(E)-1-fluoro-2-(2-methoxyphenyl)ethenyl]benzoate?
The IUPAC name of methyl 2-[(E)-1-fluoro-2-(2-methoxyphenyl)ethenyl]benzoate (CID 146798772) is methyl 2-[(E)-1-fluoro-2-(2-methoxyphenyl)ethenyl]benzoate.
What is the SMILES notation for methyl 2-[(E)-1-fluoro-2-(2-methoxyphenyl)ethenyl]benzoate?
The canonical SMILES for methyl 2-[(E)-1-fluoro-2-(2-methoxyphenyl)ethenyl]benzoate is COC(=O)c1ccccc1/C(F)=C\c1ccccc1OC.
What is the InChIKey of methyl 2-[(E)-1-fluoro-2-(2-methoxyphenyl)ethenyl]benzoate?
The InChIKey is RXJWCZTUPZNHBL-RVDMUPIBSA-N. The full InChI is InChI=1S/C17H15FO3/c1-20-16-10-6-3-7-12(16)11-15(18)13-8-4-5-9-14(13)17(19)21-2/h3-11H,1-2H3/b15-11+.
What are the key properties of methyl 2-[(E)-1-fluoro-2-(2-methoxyphenyl)ethenyl]benzoate?
methyl 2-[(E)-1-fluoro-2-(2-methoxyphenyl)ethenyl]benzoate has a molecular weight of 286.30 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(E)-1-fluoro-2-(2-methoxyphenyl)ethenyl]benzoate is sourced from PubChem (CID 146798772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).