2-(2-fluoroethoxy)-5-methylbenzoic acid

C10H11FO3 — CID 51357094

IUPAC2-(2-fluoroethoxy)-5-methylbenzoic acid
SMILESCc1ccc(OCCF)c(C(=O)O)c1
InChIInChI=1S/C10H11FO3/c1-7-2-3-9(14-5-4-11)8(6-7)10(12)13/h2-3,6H,4-5H2,1H3,(H,12,13)
InChIKeyHPJMZARXICLMRD-UHFFFAOYSA-N
MW198.19 g/mol
LogP2.04
Rot. Bonds4

About 2-(2-fluoroethoxy)-5-methylbenzoic acid

2-(2-fluoroethoxy)-5-methylbenzoic acid (PubChem CID 51357094) has the molecular formula C10H11FO3 and a molecular weight of 198.19 g/mol. Its IUPAC name is 2-(2-fluoroethoxy)-5-methylbenzoic acid.

Molecular Properties

Compound Name2-(2-fluoroethoxy)-5-methylbenzoic acid
PubChem CID51357094
Molecular FormulaC10H11FO3
Molecular Weight198.19 g/mol
Exact Mass198.07
IUPAC Name2-(2-fluoroethoxy)-5-methylbenzoic acid
SMILESCc1ccc(OCCF)c(C(=O)O)c1
InChIInChI=1S/C10H11FO3/c1-7-2-3-9(14-5-4-11)8(6-7)10(12)13/h2-3,6H,4-5H2,1H3,(H,12,13)
InChIKeyHPJMZARXICLMRD-UHFFFAOYSA-N
XLogP2.04
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-2-nonoxybenzoic acid
CID 63463067
2-but-3-ynoxy-5-methylbenzoic acid
CID 61379839
2-hept-6-enoxy-5-methylbenzoic acid
CID 107005947
5-methyl-2-(2-thiophen-2-ylethoxy)benzoic acid
CID 55220019
2-(2-ethylbutoxy)-5-methylbenzoic acid
CID 82926706
5-methyl-2-(2-propoxyphenoxy)benzoic acid
CID 62514617
4-(2-fluoroethoxy)-3-methylbenzoic acid
CID 107673859
2-aminooxy-5-methylbenzoic acid
CID 154678313
2-[(2-methoxy-5-methylphenyl)methoxy]-5-methylbenzoic acid
CID 45447311
2-[2-(dimethylamino)-2-methylpropoxy]-5-methylbenzoic acid
CID 79680211
5-methyl-2-[(2-methylphenyl)methoxy]benzoic acid
CID 25109956
2-[(3-fluorophenyl)methoxy]-5-methylbenzoic acid
CID 60652984

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroethoxy)-5-methylbenzoic acid?
The IUPAC name of 2-(2-fluoroethoxy)-5-methylbenzoic acid (CID 51357094) is 2-(2-fluoroethoxy)-5-methylbenzoic acid.
What is the SMILES notation for 2-(2-fluoroethoxy)-5-methylbenzoic acid?
The canonical SMILES for 2-(2-fluoroethoxy)-5-methylbenzoic acid is Cc1ccc(OCCF)c(C(=O)O)c1.
What is the InChIKey of 2-(2-fluoroethoxy)-5-methylbenzoic acid?
The InChIKey is HPJMZARXICLMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO3/c1-7-2-3-9(14-5-4-11)8(6-7)10(12)13/h2-3,6H,4-5H2,1H3,(H,12,13).
What are the key properties of 2-(2-fluoroethoxy)-5-methylbenzoic acid?
2-(2-fluoroethoxy)-5-methylbenzoic acid has a molecular weight of 198.19 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroethoxy)-5-methylbenzoic acid is sourced from PubChem (CID 51357094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).