(2-fluorophenyl) 2-methoxybenzoate

C14H11FO3 — CID 91714946

IUPAC(2-fluorophenyl) 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)Oc1ccccc1F
InChIInChI=1S/C14H11FO3/c1-17-12-8-4-2-6-10(12)14(16)18-13-9-5-3-7-11(13)15/h2-9H,1H3
InChIKeyJBDZLUHYOMKKGO-UHFFFAOYSA-N
MW246.24 g/mol
LogP3.05
Rot. Bonds3

About (2-fluorophenyl) 2-methoxybenzoate

(2-fluorophenyl) 2-methoxybenzoate (PubChem CID 91714946) has the molecular formula C14H11FO3 and a molecular weight of 246.24 g/mol. Its IUPAC name is (2-fluorophenyl) 2-methoxybenzoate.

Molecular Properties

Compound Name(2-fluorophenyl) 2-methoxybenzoate
PubChem CID91714946
Molecular FormulaC14H11FO3
Molecular Weight246.24 g/mol
Exact Mass246.07
IUPAC Name(2-fluorophenyl) 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)Oc1ccccc1F
InChIInChI=1S/C14H11FO3/c1-17-12-8-4-2-6-10(12)14(16)18-13-9-5-3-7-11(13)15/h2-9H,1H3
InChIKeyJBDZLUHYOMKKGO-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

[5-(2-methoxybenzoyl)oxynaphthalen-1-yl] 2-methoxybenzoate
CID 11841339
ethane;methyl 2-methoxybenzoate
CID 178037044
ethyl 2-(2-fluorobenzoyl)oxybenzoate
CID 23011835
(2-fluorophenyl) 5-bromo-2-fluorobenzoate
CID 78777005
(2-fluorophenyl) 3,5-dichloro-4-methoxybenzoate
CID 2242663
[4-[(E)-2-cyano-2-(2-methoxyphenyl)ethenyl]-2-methoxyphenyl] 2-fluorobenzoate
CID 39114380
(2-fluorophenyl) 2-hydroxy-2-methylpropanoate
CID 117051075
carbon dioxide;1-fluoro-2-methoxybenzene
CID 159972007
(4-benzoylphenyl) 2-methoxybenzoate
CID 1234638
magnesium;1-fluoro-2-methoxybenzene;hydride
CID 174440812
(2-fluorophenyl) 2-oxopropanoate
CID 54044054
(6,7-dimethoxy-2-oxochromen-3-yl) 2-fluorobenzoate
CID 11484706

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl) 2-methoxybenzoate?
The IUPAC name of (2-fluorophenyl) 2-methoxybenzoate (CID 91714946) is (2-fluorophenyl) 2-methoxybenzoate.
What is the SMILES notation for (2-fluorophenyl) 2-methoxybenzoate?
The canonical SMILES for (2-fluorophenyl) 2-methoxybenzoate is COc1ccccc1C(=O)Oc1ccccc1F.
What is the InChIKey of (2-fluorophenyl) 2-methoxybenzoate?
The InChIKey is JBDZLUHYOMKKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FO3/c1-17-12-8-4-2-6-10(12)14(16)18-13-9-5-3-7-11(13)15/h2-9H,1H3.
What are the key properties of (2-fluorophenyl) 2-methoxybenzoate?
(2-fluorophenyl) 2-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 (2-fluorophenyl) 2-methoxybenzoate is sourced from PubChem (CID 91714946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).