benzyl 2-fluoro-3-hydroxybenzoate

C14H11FO3 — CID 561298

IUPACbenzyl 2-fluoro-3-hydroxybenzoate
SMILESO=C(OCc1ccccc1)c1cccc(O)c1F
InChIInChI=1S/C14H11FO3/c15-13-11(7-4-8-12(13)16)14(17)18-9-10-5-2-1-3-6-10/h1-8,16H,9H2
InChIKeyHLSSTJNUBWBXBM-UHFFFAOYSA-N
MW246.24 g/mol
LogP2.89
Rot. Bonds3

About benzyl 2-fluoro-3-hydroxybenzoate

benzyl 2-fluoro-3-hydroxybenzoate (PubChem CID 561298) has the molecular formula C14H11FO3 and a molecular weight of 246.24 g/mol. Its IUPAC name is benzyl 2-fluoro-3-hydroxybenzoate.

Molecular Properties

Compound Namebenzyl 2-fluoro-3-hydroxybenzoate
PubChem CID561298
Molecular FormulaC14H11FO3
Molecular Weight246.24 g/mol
Exact Mass246.07
IUPAC Namebenzyl 2-fluoro-3-hydroxybenzoate
SMILESO=C(OCc1ccccc1)c1cccc(O)c1F
InChIInChI=1S/C14H11FO3/c15-13-11(7-4-8-12(13)16)14(17)18-9-10-5-2-1-3-6-10/h1-8,16H,9H2
InChIKeyHLSSTJNUBWBXBM-UHFFFAOYSA-N
XLogP2.89
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 2,3-difluorobenzoate
CID 62867579
benzyl 2-fluoro-3-nitrobenzoate
CID 169449001
benzyl 2-hydroxybenzoate;benzyl 3-hydroxy-2-(trifluoromethyl)benzoate
CID 158703546
benzyl 2-fluoro-3-[(4-fluorobenzoyl)amino]benzoate
CID 172557349
benzyl 2-(dimethylamino)benzoate
CID 58143131
benzyl N-(2-fluoro-3-hydroxyphenyl)carbamate
CID 125116618
benzyl 2-hydroxy-3-methoxybenzoate
CID 18075523
copper(1+);2-phenylmethoxycarbonylbenzoate
CID 158888431
benzyl 2-fluoro-1H-pyrrole-3-carboxylate
CID 132545837
benzyl 2-hydroxy-6-sulfanylbenzoate
CID 57290903
benzyl 2-hydroxy-5-iodobenzoate
CID 10760569
benzyl 2-(difluoromethoxy)benzoate
CID 55327292

Frequently Asked Questions

What is the IUPAC name of benzyl 2-fluoro-3-hydroxybenzoate?
The IUPAC name of benzyl 2-fluoro-3-hydroxybenzoate (CID 561298) is benzyl 2-fluoro-3-hydroxybenzoate.
What is the SMILES notation for benzyl 2-fluoro-3-hydroxybenzoate?
The canonical SMILES for benzyl 2-fluoro-3-hydroxybenzoate is O=C(OCc1ccccc1)c1cccc(O)c1F.
What is the InChIKey of benzyl 2-fluoro-3-hydroxybenzoate?
The InChIKey is HLSSTJNUBWBXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FO3/c15-13-11(7-4-8-12(13)16)14(17)18-9-10-5-2-1-3-6-10/h1-8,16H,9H2.
What are the key properties of benzyl 2-fluoro-3-hydroxybenzoate?
benzyl 2-fluoro-3-hydroxybenzoate has a molecular weight of 246.24 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-fluoro-3-hydroxybenzoate is sourced from PubChem (CID 561298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).