2-(1-ethoxypropan-2-yloxy)-3-fluorobenzoic acid

C12H15FO4 — CID 103487194

IUPAC2-(1-ethoxypropan-2-yloxy)-3-fluorobenzoic acid
SMILESCCOCC(C)Oc1c(F)cccc1C(=O)O
InChIInChI=1S/C12H15FO4/c1-3-16-7-8(2)17-11-9(12(14)15)5-4-6-10(11)13/h4-6,8H,3,7H2,1-2H3,(H,14,15)
InChIKeyZTIDGPCGENAAOX-UHFFFAOYSA-N
MW242.25 g/mol
LogP2.33
Rot. Bonds6

About 2-(1-ethoxypropan-2-yloxy)-3-fluorobenzoic acid

2-(1-ethoxypropan-2-yloxy)-3-fluorobenzoic acid (PubChem CID 103487194) has the molecular formula C12H15FO4 and a molecular weight of 242.25 g/mol. Its IUPAC name is 2-(1-ethoxypropan-2-yloxy)-3-fluorobenzoic acid.

Molecular Properties

Compound Name2-(1-ethoxypropan-2-yloxy)-3-fluorobenzoic acid
PubChem CID103487194
Molecular FormulaC12H15FO4
Molecular Weight242.25 g/mol
Exact Mass242.10
IUPAC Name2-(1-ethoxypropan-2-yloxy)-3-fluorobenzoic acid
SMILESCCOCC(C)Oc1c(F)cccc1C(=O)O
InChIInChI=1S/C12H15FO4/c1-3-16-7-8(2)17-11-9(12(14)15)5-4-6-10(11)13/h4-6,8H,3,7H2,1-2H3,(H,14,15)
InChIKeyZTIDGPCGENAAOX-UHFFFAOYSA-N
XLogP2.33
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-2-pentan-2-yloxybenzoic acid
CID 102980945
4-(1-ethoxypropan-2-yloxy)-3,5-difluorobenzoic acid
CID 103487163
2-[1-(diethylamino)-1-oxopropan-2-yl]oxy-3-fluorobenzoic acid
CID 115956001
3-fluoro-2-(1,1,1-trifluoropropan-2-yloxy)benzoic acid
CID 66276514
3-fluoro-2-(1-phenylethoxy)benzoic acid
CID 55101618
2-(3-amino-2-methyl-3-oxopropoxy)-3-fluorobenzoic acid
CID 112612114
2-butoxy-3-fluorobenzoic acid
CID 62648647
2-amino-5-(1-ethoxypropan-2-yloxy)benzoic acid
CID 103489388
6-(1-ethoxypropan-2-yloxy)pyridine-2-carboxylic acid
CID 103487111
2-amino-4-(1-ethoxypropan-2-yloxy)benzoic acid
CID 103489403
2-[1-(cyclopropylamino)-1-oxopropan-2-yl]oxy-3-fluorobenzoic acid
CID 112612134
1-(3-fluoro-2-octan-2-yloxyphenyl)ethanone
CID 114058524

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxypropan-2-yloxy)-3-fluorobenzoic acid?
The IUPAC name of 2-(1-ethoxypropan-2-yloxy)-3-fluorobenzoic acid (CID 103487194) is 2-(1-ethoxypropan-2-yloxy)-3-fluorobenzoic acid.
What is the SMILES notation for 2-(1-ethoxypropan-2-yloxy)-3-fluorobenzoic acid?
The canonical SMILES for 2-(1-ethoxypropan-2-yloxy)-3-fluorobenzoic acid is CCOCC(C)Oc1c(F)cccc1C(=O)O.
What is the InChIKey of 2-(1-ethoxypropan-2-yloxy)-3-fluorobenzoic acid?
The InChIKey is ZTIDGPCGENAAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO4/c1-3-16-7-8(2)17-11-9(12(14)15)5-4-6-10(11)13/h4-6,8H,3,7H2,1-2H3,(H,14,15).
What are the key properties of 2-(1-ethoxypropan-2-yloxy)-3-fluorobenzoic acid?
2-(1-ethoxypropan-2-yloxy)-3-fluorobenzoic acid has a molecular weight of 242.25 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxypropan-2-yloxy)-3-fluorobenzoic acid is sourced from PubChem (CID 103487194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).