2-fluoro-3-(phenylmethoxymethyl)benzoic acid

C15H13FO3 — CID 107119649

IUPAC2-fluoro-3-(phenylmethoxymethyl)benzoic acid
SMILESO=C(O)c1cccc(COCc2ccccc2)c1F
InChIInChI=1S/C15H13FO3/c16-14-12(7-4-8-13(14)15(17)18)10-19-9-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,17,18)
InChIKeySSQLIVGJWJBZQQ-UHFFFAOYSA-N
MW260.26 g/mol
LogP3.24
Rot. Bonds5

About 2-fluoro-3-(phenylmethoxymethyl)benzoic acid

2-fluoro-3-(phenylmethoxymethyl)benzoic acid (PubChem CID 107119649) has the molecular formula C15H13FO3 and a molecular weight of 260.26 g/mol. Its IUPAC name is 2-fluoro-3-(phenylmethoxymethyl)benzoic acid.

Molecular Properties

Compound Name2-fluoro-3-(phenylmethoxymethyl)benzoic acid
PubChem CID107119649
Molecular FormulaC15H13FO3
Molecular Weight260.26 g/mol
Exact Mass260.08
IUPAC Name2-fluoro-3-(phenylmethoxymethyl)benzoic acid
SMILESO=C(O)c1cccc(COCc2ccccc2)c1F
InChIInChI=1S/C15H13FO3/c16-14-12(7-4-8-13(14)15(17)18)10-19-9-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,17,18)
InChIKeySSQLIVGJWJBZQQ-UHFFFAOYSA-N
XLogP3.24
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-3-(prop-2-enoxymethyl)benzoic acid
CID 107119645
2-fluoro-3-(3-hydroxypropoxymethyl)benzoic acid
CID 107119719
4-fluoro-2-(phenylmethoxymethyl)benzoic acid
CID 107908401
3-[(2-ethylphenoxy)methyl]-2-fluorobenzoic acid
CID 107119721
2-fluoro-3-(hydroxymethyl)benzoic acid
CID 2774489
2-fluoro-3-(4-methylpentan-2-yloxymethyl)benzoic acid
CID 107119679
2-fluoro-3-[[methyl(2-phenylethyl)amino]methyl]benzoic acid
CID 107119523
5-bromo-2-(phenylmethoxymethyl)benzoic acid
CID 102538116
3-(2-bromoethyl)-2-fluorobenzoic acid
CID 174686593
2-fluoro-3-[(N-methylanilino)methyl]benzoic acid
CID 107119323
acetic acid;phenylmethoxymethylbenzene
CID 175214238
methoxymethylbenzene;2-(methoxymethyl)benzoic acid
CID 175486457

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(phenylmethoxymethyl)benzoic acid?
The IUPAC name of 2-fluoro-3-(phenylmethoxymethyl)benzoic acid (CID 107119649) is 2-fluoro-3-(phenylmethoxymethyl)benzoic acid.
What is the SMILES notation for 2-fluoro-3-(phenylmethoxymethyl)benzoic acid?
The canonical SMILES for 2-fluoro-3-(phenylmethoxymethyl)benzoic acid is O=C(O)c1cccc(COCc2ccccc2)c1F.
What is the InChIKey of 2-fluoro-3-(phenylmethoxymethyl)benzoic acid?
The InChIKey is SSQLIVGJWJBZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO3/c16-14-12(7-4-8-13(14)15(17)18)10-19-9-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,17,18).
What are the key properties of 2-fluoro-3-(phenylmethoxymethyl)benzoic acid?
2-fluoro-3-(phenylmethoxymethyl)benzoic acid has a molecular weight of 260.26 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(phenylmethoxymethyl)benzoic acid is sourced from PubChem (CID 107119649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).