3-fluoro-2-(phenoxymethyl)benzoic acid

C14H11FO3 — CID 67133785

IUPAC3-fluoro-2-(phenoxymethyl)benzoic acid
SMILESO=C(O)c1cccc(F)c1COc1ccccc1
InChIInChI=1S/C14H11FO3/c15-13-8-4-7-11(14(16)17)12(13)9-18-10-5-2-1-3-6-10/h1-8H,9H2,(H,16,17)
InChIKeyZETQTLGMHHAAII-UHFFFAOYSA-N
MW246.24 g/mol
LogP3.10
Rot. Bonds4

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

3-fluoro-2-(phenoxymethyl)benzoic acid (PubChem CID 67133785) has the molecular formula C14H11FO3 and a molecular weight of 246.24 g/mol. Its IUPAC name is 3-fluoro-2-(phenoxymethyl)benzoic acid.

Molecular Properties

Compound Name3-fluoro-2-(phenoxymethyl)benzoic acid
PubChem CID67133785
Molecular FormulaC14H11FO3
Molecular Weight246.24 g/mol
Exact Mass246.07
IUPAC Name3-fluoro-2-(phenoxymethyl)benzoic acid
SMILESO=C(O)c1cccc(F)c1COc1ccccc1
InChIInChI=1S/C14H11FO3/c15-13-8-4-7-11(14(16)17)12(13)9-18-10-5-2-1-3-6-10/h1-8H,9H2,(H,16,17)
InChIKeyZETQTLGMHHAAII-UHFFFAOYSA-N
XLogP3.10
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,6-difluorophenyl)methoxy]-3-fluorobenzoic acid
CID 114930307
2-chloro-5-[(2,6-difluorophenyl)methoxy]benzoic acid
CID 106500553
3-fluoro-2-(fluoromethyl)benzoic acid
CID 68731679
2-ethyl-3-fluorobenzoic acid
CID 52911005
3-fluoro-2-[(propan-2-ylideneamino)oxymethyl]benzoic acid
CID 118459567
3-chloro-2-[(2,6-difluorophenyl)methoxy]benzoic acid
CID 114930306
acetic acid;2-(phenoxymethyl)benzoic acid
CID 154809758
3-amino-2-(phenoxymethyl)benzamide
CID 69266534
1,3-difluoro-4-methyl-2-(phenoxymethyl)benzene
CID 174488029
4-amino-2-[(2,6-difluorophenyl)methoxy]benzoic acid
CID 106954932
4-fluoro-N-[2-[(2-fluorobenzoyl)amino]ethyl]-3-(phenoxymethyl)-1-benzothiophene-2-carboxamide
CID 55974311
2-fluoro-N'-[4-(phenoxymethyl)benzoyl]benzohydrazide
CID 4875820

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(phenoxymethyl)benzoic acid?
The IUPAC name of 3-fluoro-2-(phenoxymethyl)benzoic acid (CID 67133785) is 3-fluoro-2-(phenoxymethyl)benzoic acid.
What is the SMILES notation for 3-fluoro-2-(phenoxymethyl)benzoic acid?
The canonical SMILES for 3-fluoro-2-(phenoxymethyl)benzoic acid is O=C(O)c1cccc(F)c1COc1ccccc1.
What is the InChIKey of 3-fluoro-2-(phenoxymethyl)benzoic acid?
The InChIKey is ZETQTLGMHHAAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FO3/c15-13-8-4-7-11(14(16)17)12(13)9-18-10-5-2-1-3-6-10/h1-8H,9H2,(H,16,17).
What are the key properties of 3-fluoro-2-(phenoxymethyl)benzoic acid?
3-fluoro-2-(phenoxymethyl)benzoic acid has a molecular weight of 246.24 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(phenoxymethyl)benzoic acid is sourced from PubChem (CID 67133785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).