phenyl 2-fluoro-5-methoxybenzoate

C14H11FO3 — CID 135022638

IUPACphenyl 2-fluoro-5-methoxybenzoate
SMILESCOc1ccc(F)c(C(=O)Oc2ccccc2)c1
InChIInChI=1S/C14H11FO3/c1-17-11-7-8-13(15)12(9-11)14(16)18-10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyAGKNCCBSDNWTGX-UHFFFAOYSA-N
MW246.24 g/mol
LogP3.05
Rot. Bonds3

About phenyl 2-fluoro-5-methoxybenzoate

phenyl 2-fluoro-5-methoxybenzoate (PubChem CID 135022638) has the molecular formula C14H11FO3 and a molecular weight of 246.24 g/mol. Its IUPAC name is phenyl 2-fluoro-5-methoxybenzoate.

Molecular Properties

Compound Namephenyl 2-fluoro-5-methoxybenzoate
PubChem CID135022638
Molecular FormulaC14H11FO3
Molecular Weight246.24 g/mol
Exact Mass246.07
IUPAC Namephenyl 2-fluoro-5-methoxybenzoate
SMILESCOc1ccc(F)c(C(=O)Oc2ccccc2)c1
InChIInChI=1S/C14H11FO3/c1-17-11-7-8-13(15)12(9-11)14(16)18-10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyAGKNCCBSDNWTGX-UHFFFAOYSA-N
XLogP3.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Phenoxybenzoic acid
CID 19539
3-Phenoxybenzaldehyde
CID 38284
Eugenyl benzoate
CID 62362
Phenyl benzoate
CID 7169
6-Methoxyflavone
CID 147157
3-Methoxybenzoic Acid
CID 11461
p-CRESYL PHENYLACETATE
CID 60997
Diphenyl phthalate
CID 6778
3-(Nitroxymethyl)phenyl 2-acetoxybenzoate
CID 119032
4-Fluoro-3-phenoxybenzoic acid
CID 157032
1,2-Ethanedione, 1,2-bis(3-methoxyphenyl)-
CID 123493
3'-Methoxyflavone
CID 619834

Frequently Asked Questions

What is the IUPAC name of phenyl 2-fluoro-5-methoxybenzoate?
The IUPAC name of phenyl 2-fluoro-5-methoxybenzoate (CID 135022638) is phenyl 2-fluoro-5-methoxybenzoate.
What is the SMILES notation for phenyl 2-fluoro-5-methoxybenzoate?
The canonical SMILES for phenyl 2-fluoro-5-methoxybenzoate is COc1ccc(F)c(C(=O)Oc2ccccc2)c1.
What is the InChIKey of phenyl 2-fluoro-5-methoxybenzoate?
The InChIKey is AGKNCCBSDNWTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FO3/c1-17-11-7-8-13(15)12(9-11)14(16)18-10-5-3-2-4-6-10/h2-9H,1H3.
What are the key properties of phenyl 2-fluoro-5-methoxybenzoate?
phenyl 2-fluoro-5-methoxybenzoate has a molecular weight of 246.24 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-fluoro-5-methoxybenzoate is sourced from PubChem (CID 135022638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).