3-ethyl-2-fluoro-5-methoxybenzoic acid

C10H11FO3 — CID 123425084

IUPAC3-ethyl-2-fluoro-5-methoxybenzoic acid
SMILESCCc1cc(OC)cc(C(=O)O)c1F
InChIInChI=1S/C10H11FO3/c1-3-6-4-7(14-2)5-8(9(6)11)10(12)13/h4-5H,3H2,1-2H3,(H,12,13)
InChIKeyCHCUACYPHIUAIQ-UHFFFAOYSA-N
MW198.19 g/mol
LogP2.09
Rot. Bonds3

About 3-ethyl-2-fluoro-5-methoxybenzoic acid

3-ethyl-2-fluoro-5-methoxybenzoic acid (PubChem CID 123425084) has the molecular formula C10H11FO3 and a molecular weight of 198.19 g/mol. Its IUPAC name is 3-ethyl-2-fluoro-5-methoxybenzoic acid.

Molecular Properties

Compound Name3-ethyl-2-fluoro-5-methoxybenzoic acid
PubChem CID123425084
Molecular FormulaC10H11FO3
Molecular Weight198.19 g/mol
Exact Mass198.07
IUPAC Name3-ethyl-2-fluoro-5-methoxybenzoic acid
SMILESCCc1cc(OC)cc(C(=O)O)c1F
InChIInChI=1S/C10H11FO3/c1-3-6-4-7(14-2)5-8(9(6)11)10(12)13/h4-5H,3H2,1-2H3,(H,12,13)
InChIKeyCHCUACYPHIUAIQ-UHFFFAOYSA-N
XLogP2.09
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-2,3-difluoro-5-methoxybenzene
CID 149025981
3-(hydroxymethyl)-5-methoxy-2-methylbenzoic acid
CID 141349379
2-fluoro-3-[(Z)-N'-hydroxycarbamimidoyl]-5-methoxybenzoic acid
CID 138584666
ethyl 3-(bromomethyl)-2-fluoro-5-methoxybenzoate
CID 130056344
2-amino-5-methoxybenzene-1,3-dicarboxylic acid
CID 66762655
2-[3-(bromomethyl)-2-fluoro-5-methoxyphenyl]acetic acid
CID 130139281
2-(2,3-difluoro-4-methylphenyl)-5-methoxybenzoic acid
CID 107514003
3-(chloromethyl)-2-cyano-5-methoxybenzoic acid
CID 131524622
3-(2-fluoro-5-methoxy-3-methylphenyl)-2,2-dimethylpropanoic acid
CID 117353387
3-(aminomethyl)-2-cyano-5-methoxybenzoic acid
CID 134651896
5-ethyl-4-hydroxy-2-(4-methoxyphenyl)benzoic acid
CID 57314775
5-ethyl-2-fluoro-4-methylbenzoic acid
CID 118515389

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-fluoro-5-methoxybenzoic acid?
The IUPAC name of 3-ethyl-2-fluoro-5-methoxybenzoic acid (CID 123425084) is 3-ethyl-2-fluoro-5-methoxybenzoic acid.
What is the SMILES notation for 3-ethyl-2-fluoro-5-methoxybenzoic acid?
The canonical SMILES for 3-ethyl-2-fluoro-5-methoxybenzoic acid is CCc1cc(OC)cc(C(=O)O)c1F.
What is the InChIKey of 3-ethyl-2-fluoro-5-methoxybenzoic acid?
The InChIKey is CHCUACYPHIUAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO3/c1-3-6-4-7(14-2)5-8(9(6)11)10(12)13/h4-5H,3H2,1-2H3,(H,12,13).
What are the key properties of 3-ethyl-2-fluoro-5-methoxybenzoic acid?
3-ethyl-2-fluoro-5-methoxybenzoic acid has a molecular weight of 198.19 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-fluoro-5-methoxybenzoic acid is sourced from PubChem (CID 123425084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).