(3-methoxyphenyl)methyl 2-fluorobenzoate

C15H13FO3 — CID 57332820

IUPAC(3-methoxyphenyl)methyl 2-fluorobenzoate
SMILESCOc1cccc(COC(=O)c2ccccc2F)c1
InChIInChI=1S/C15H13FO3/c1-18-12-6-4-5-11(9-12)10-19-15(17)13-7-2-3-8-14(13)16/h2-9H,10H2,1H3
InChIKeySNDLQRZHPYBMCH-UHFFFAOYSA-N
MW260.26 g/mol
LogP3.19
Rot. Bonds4

About (3-methoxyphenyl)methyl 2-fluorobenzoate

(3-methoxyphenyl)methyl 2-fluorobenzoate (PubChem CID 57332820) has the molecular formula C15H13FO3 and a molecular weight of 260.26 g/mol. Its IUPAC name is (3-methoxyphenyl)methyl 2-fluorobenzoate.

Molecular Properties

Compound Name(3-methoxyphenyl)methyl 2-fluorobenzoate
PubChem CID57332820
Molecular FormulaC15H13FO3
Molecular Weight260.26 g/mol
Exact Mass260.08
IUPAC Name(3-methoxyphenyl)methyl 2-fluorobenzoate
SMILESCOc1cccc(COC(=O)c2ccccc2F)c1
InChIInChI=1S/C15H13FO3/c1-18-12-6-4-5-11(9-12)10-19-15(17)13-7-2-3-8-14(13)16/h2-9H,10H2,1H3
InChIKeySNDLQRZHPYBMCH-UHFFFAOYSA-N
XLogP3.19
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3-methoxyphenyl)methyl 2-fluorobenzoate 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

(3-methoxyphenyl)methyl 2-fluoro-5-sulfanylbenzoate
CID 107018266
benzyl 2-fluoro-4-methoxybenzoate
CID 103602947
(3-methoxyphenyl)methyl 2-amino-3-bromobenzoate
CID 61235590
(3-methoxyphenyl)methyl 2,5-dimethylfuran-3-carboxylate
CID 78789323
[2-(3-methoxyanilino)-2-oxoethyl] 2-fluorobenzoate
CID 2427280
(4-phenylphenyl)methyl 2-fluoro-4-methoxybenzoate
CID 7490992
(3-methoxy-4-propoxyphenyl)methyl 2-fluorobenzoate
CID 78837283
benzyl 2,3-difluorobenzoate
CID 62867579
(3-methoxyphenyl)methyl 2,5-dichloropyridine-4-carboxylate
CID 114929160
(3-methoxyphenyl)methyl 2-methoxy-5-sulfamoylbenzoate
CID 16570421
(3-methoxyphenyl)methyl 2-sulfanylacetate
CID 107018257
2-[(3-methoxyphenyl)methoxy]prop-1-en-1-one
CID 134874113

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)methyl 2-fluorobenzoate?
The IUPAC name of (3-methoxyphenyl)methyl 2-fluorobenzoate (CID 57332820) is (3-methoxyphenyl)methyl 2-fluorobenzoate.
What is the SMILES notation for (3-methoxyphenyl)methyl 2-fluorobenzoate?
The canonical SMILES for (3-methoxyphenyl)methyl 2-fluorobenzoate is COc1cccc(COC(=O)c2ccccc2F)c1.
What is the InChIKey of (3-methoxyphenyl)methyl 2-fluorobenzoate?
The InChIKey is SNDLQRZHPYBMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO3/c1-18-12-6-4-5-11(9-12)10-19-15(17)13-7-2-3-8-14(13)16/h2-9H,10H2,1H3.
What are the key properties of (3-methoxyphenyl)methyl 2-fluorobenzoate?
(3-methoxyphenyl)methyl 2-fluorobenzoate has a molecular weight of 260.26 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)methyl 2-fluorobenzoate is sourced from PubChem (CID 57332820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).