5-fluoro-2-(oxolan-3-ylmethoxymethyl)benzoic acid

C13H15FO4 — CID 63292791

IUPAC5-fluoro-2-(oxolan-3-ylmethoxymethyl)benzoic acid
SMILESO=C(O)c1cc(F)ccc1COCC1CCOC1
InChIInChI=1S/C13H15FO4/c14-11-2-1-10(12(5-11)13(15)16)8-18-7-9-3-4-17-6-9/h1-2,5,9H,3-4,6-8H2,(H,15,16)
InChIKeyUAZJTDFLANIJGX-UHFFFAOYSA-N
MW254.26 g/mol
LogP2.08
Rot. Bonds5

About 5-fluoro-2-(oxolan-3-ylmethoxymethyl)benzoic acid

5-fluoro-2-(oxolan-3-ylmethoxymethyl)benzoic acid (PubChem CID 63292791) has the molecular formula C13H15FO4 and a molecular weight of 254.26 g/mol. Its IUPAC name is 5-fluoro-2-(oxolan-3-ylmethoxymethyl)benzoic acid.

Molecular Properties

Compound Name5-fluoro-2-(oxolan-3-ylmethoxymethyl)benzoic acid
PubChem CID63292791
Molecular FormulaC13H15FO4
Molecular Weight254.26 g/mol
Exact Mass254.10
IUPAC Name5-fluoro-2-(oxolan-3-ylmethoxymethyl)benzoic acid
SMILESO=C(O)c1cc(F)ccc1COCC1CCOC1
InChIInChI=1S/C13H15FO4/c14-11-2-1-10(12(5-11)13(15)16)8-18-7-9-3-4-17-6-9/h1-2,5,9H,3-4,6-8H2,(H,15,16)
InChIKeyUAZJTDFLANIJGX-UHFFFAOYSA-N
XLogP2.08
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-cyclopropylethoxymethyl)-5-fluorobenzoic acid
CID 106206460
2-(oxan-4-ylmethoxymethyl)benzoic acid
CID 55134340
5-fluoro-2-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]benzoic acid
CID 63292963
1-[4-fluoro-2-(oxolan-3-ylmethoxy)phenyl]ethanone
CID 63067473
2-(oxolan-3-ylmethoxymethyl)benzenecarbothioamide
CID 54977500
5-fluoro-2-(4,4,4-trifluorobutoxymethyl)benzoic acid
CID 82793146
methyl 2-[[cyclopropyl-[[(3R)-oxolan-3-yl]methyl]amino]methyl]-5-fluorobenzoate
CID 96999438
6-(oxolan-3-ylmethoxy)-1,3-benzodioxole-5-carboxylic acid
CID 55012861
2-(but-2-enoxymethyl)-5-fluorobenzoic acid
CID 76994570
(E)-3-[2-(cyclopropylmethoxymethyl)-5-fluorophenyl]prop-2-enoic acid
CID 94233140
2-chloro-5-(oxolan-3-ylmethoxy)benzoic acid
CID 106500594
[5-fluoro-2-[[(3R)-oxolan-3-yl]methoxy]phenyl]boronic acid
CID 99773305

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(oxolan-3-ylmethoxymethyl)benzoic acid?
The IUPAC name of 5-fluoro-2-(oxolan-3-ylmethoxymethyl)benzoic acid (CID 63292791) is 5-fluoro-2-(oxolan-3-ylmethoxymethyl)benzoic acid.
What is the SMILES notation for 5-fluoro-2-(oxolan-3-ylmethoxymethyl)benzoic acid?
The canonical SMILES for 5-fluoro-2-(oxolan-3-ylmethoxymethyl)benzoic acid is O=C(O)c1cc(F)ccc1COCC1CCOC1.
What is the InChIKey of 5-fluoro-2-(oxolan-3-ylmethoxymethyl)benzoic acid?
The InChIKey is UAZJTDFLANIJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO4/c14-11-2-1-10(12(5-11)13(15)16)8-18-7-9-3-4-17-6-9/h1-2,5,9H,3-4,6-8H2,(H,15,16).
What are the key properties of 5-fluoro-2-(oxolan-3-ylmethoxymethyl)benzoic acid?
5-fluoro-2-(oxolan-3-ylmethoxymethyl)benzoic acid has a molecular weight of 254.26 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(oxolan-3-ylmethoxymethyl)benzoic acid is sourced from PubChem (CID 63292791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).