2-(2-fluorophenoxy)ethyl 4-methylbenzoate

C16H15FO3 — CID 2363713

IUPAC2-(2-fluorophenoxy)ethyl 4-methylbenzoate
SMILESCc1ccc(C(=O)OCCOc2ccccc2F)cc1
InChIInChI=1S/C16H15FO3/c1-12-6-8-13(9-7-12)16(18)20-11-10-19-15-5-3-2-4-14(15)17/h2-9H,10-11H2,1H3
InChIKeyXXBUWRMVTXRLMN-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.37
Rot. Bonds5

About 2-(2-fluorophenoxy)ethyl 4-methylbenzoate

2-(2-fluorophenoxy)ethyl 4-methylbenzoate (PubChem CID 2363713) has the molecular formula C16H15FO3 and a molecular weight of 274.29 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)ethyl 4-methylbenzoate.

Molecular Properties

Compound Name2-(2-fluorophenoxy)ethyl 4-methylbenzoate
PubChem CID2363713
Molecular FormulaC16H15FO3
Molecular Weight274.29 g/mol
Exact Mass274.10
IUPAC Name2-(2-fluorophenoxy)ethyl 4-methylbenzoate
SMILESCc1ccc(C(=O)OCCOc2ccccc2F)cc1
InChIInChI=1S/C16H15FO3/c1-12-6-8-13(9-7-12)16(18)20-11-10-19-15-5-3-2-4-14(15)17/h2-9H,10-11H2,1H3
InChIKeyXXBUWRMVTXRLMN-UHFFFAOYSA-N
XLogP3.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 4804285
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CID 7830613
2-(2-fluorophenoxy)ethyl 1-methylpyrrole-2-carboxylate
CID 84602073
2-(4-chlorophenoxy)ethyl 4-methylbenzoate
CID 126608900
4-[2-(2-fluorophenoxy)ethoxy]-3-methylbenzoic acid
CID 104651443
2-(2-fluorophenoxy)ethyl 4-methoxy-3-(methylsulfamoyl)benzoate
CID 7974266
2-(2-fluorophenoxy)ethyl 4-chloro-3-(methylsulfamoyl)benzoate
CID 9331852
2-(2-fluorophenoxy)ethyl 4-(methylamino)-3-nitrobenzoate
CID 7650660
2-(2-fluorophenoxy)ethyl 2-[(4-methylphenyl)sulfonylamino]propanoate
CID 24661817
2-(2-fluorophenoxy)ethyl 3-methylbut-2-enoate
CID 78760883
2-(2-fluorophenoxy)ethyl 4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzoate
CID 7881604

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)ethyl 4-methylbenzoate?
The IUPAC name of 2-(2-fluorophenoxy)ethyl 4-methylbenzoate (CID 2363713) is 2-(2-fluorophenoxy)ethyl 4-methylbenzoate.
What is the SMILES notation for 2-(2-fluorophenoxy)ethyl 4-methylbenzoate?
The canonical SMILES for 2-(2-fluorophenoxy)ethyl 4-methylbenzoate is Cc1ccc(C(=O)OCCOc2ccccc2F)cc1.
What is the InChIKey of 2-(2-fluorophenoxy)ethyl 4-methylbenzoate?
The InChIKey is XXBUWRMVTXRLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO3/c1-12-6-8-13(9-7-12)16(18)20-11-10-19-15-5-3-2-4-14(15)17/h2-9H,10-11H2,1H3.
What are the key properties of 2-(2-fluorophenoxy)ethyl 4-methylbenzoate?
2-(2-fluorophenoxy)ethyl 4-methylbenzoate has a molecular weight of 274.29 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)ethyl 4-methylbenzoate is sourced from PubChem (CID 2363713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).