benzyl 2-fluoro-4-methoxybenzoate

C15H13FO3 — CID 103602947

IUPACbenzyl 2-fluoro-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCc2ccccc2)c(F)c1
InChIInChI=1S/C15H13FO3/c1-18-12-7-8-13(14(16)9-12)15(17)19-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3
InChIKeyJNPZTIIGLMIXIK-UHFFFAOYSA-N
MW260.26 g/mol
LogP3.19
Rot. Bonds4

About benzyl 2-fluoro-4-methoxybenzoate

benzyl 2-fluoro-4-methoxybenzoate (PubChem CID 103602947) has the molecular formula C15H13FO3 and a molecular weight of 260.26 g/mol. Its IUPAC name is benzyl 2-fluoro-4-methoxybenzoate.

Molecular Properties

Compound Namebenzyl 2-fluoro-4-methoxybenzoate
PubChem CID103602947
Molecular FormulaC15H13FO3
Molecular Weight260.26 g/mol
Exact Mass260.08
IUPAC Namebenzyl 2-fluoro-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCc2ccccc2)c(F)c1
InChIInChI=1S/C15H13FO3/c1-18-12-7-8-13(14(16)9-12)15(17)19-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3
InChIKeyJNPZTIIGLMIXIK-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 benzyl 2-fluoro-4-methoxybenzoate 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

(4-phenylphenyl)methyl 2-fluoro-4-methoxybenzoate
CID 7490992
(3-methoxyphenyl)methyl 2-fluorobenzoate
CID 57332820
benzyl 2-iodo-5-methoxybenzoate
CID 172646545
(4-aminoquinazolin-2-yl)methyl 2-fluoro-4-methoxybenzoate
CID 17416370
(5-phenyl-1,3-oxazol-2-yl)methyl 2-fluoro-4-methoxybenzoate
CID 8509326
(4-methoxyphenyl)methyl 4-amino-2,5-difluorobenzoate
CID 104700445
2-fluoro-4-methoxy-N-(3-phenylpropyl)benzamide
CID 17408402
2-fluoro-4-phenylmethoxycarbonylbenzoic acid
CID 59295092
benzyl 5-chloro-3-fluoro-2-methoxybenzoate
CID 170068005
benzyl 6-methoxy-2-methylquinoline-4-carboxylate
CID 164676582
[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl] 2-fluoro-4-methoxybenzoate
CID 8509415
(4-fluorophenyl)methyl 2-amino-5-methoxybenzoate
CID 61321680

Frequently Asked Questions

What is the IUPAC name of benzyl 2-fluoro-4-methoxybenzoate?
The IUPAC name of benzyl 2-fluoro-4-methoxybenzoate (CID 103602947) is benzyl 2-fluoro-4-methoxybenzoate.
What is the SMILES notation for benzyl 2-fluoro-4-methoxybenzoate?
The canonical SMILES for benzyl 2-fluoro-4-methoxybenzoate is COc1ccc(C(=O)OCc2ccccc2)c(F)c1.
What is the InChIKey of benzyl 2-fluoro-4-methoxybenzoate?
The InChIKey is JNPZTIIGLMIXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO3/c1-18-12-7-8-13(14(16)9-12)15(17)19-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3.
What are the key properties of benzyl 2-fluoro-4-methoxybenzoate?
benzyl 2-fluoro-4-methoxybenzoate 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 benzyl 2-fluoro-4-methoxybenzoate is sourced from PubChem (CID 103602947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).