5-ethyl-2-methoxybenzoic acid

C10H12O3 — CID 20721149

IUPAC5-ethyl-2-methoxybenzoic acid
SMILESCCc1ccc(OC)c(C(=O)O)c1
InChIInChI=1S/C10H12O3/c1-3-7-4-5-9(13-2)8(6-7)10(11)12/h4-6H,3H2,1-2H3,(H,11,12)
InChIKeyICNRRZRXHDBVTG-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.96
Rot. Bonds3

About 5-ethyl-2-methoxybenzoic acid

5-ethyl-2-methoxybenzoic acid (PubChem CID 20721149) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 5-ethyl-2-methoxybenzoic acid.

Molecular Properties

Compound Name5-ethyl-2-methoxybenzoic acid
PubChem CID20721149
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name5-ethyl-2-methoxybenzoic acid
SMILESCCc1ccc(OC)c(C(=O)O)c1
InChIInChI=1S/C10H12O3/c1-3-7-4-5-9(13-2)8(6-7)10(11)12/h4-6H,3H2,1-2H3,(H,11,12)
InChIKeyICNRRZRXHDBVTG-UHFFFAOYSA-N
XLogP1.96
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-2-methoxybenzoic acid
CID 18687349
propan-2-yl 5-ethyl-2-methoxybenzoate
CID 82551716
2-methoxy-5-(methylsulfonylmethyl)benzoic acid
CID 18464653
5-ethyl-2-methoxy-N-propan-2-ylbenzamide
CID 110761959
2-chloro-1-(5-ethyl-2-methoxyphenyl)propan-1-one
CID 82267769
2-methoxy-5-(2-propoxyethoxymethyl)benzoic acid
CID 65339096
2-ethyl-4-(5-ethyl-2-methoxyphenyl)-4-oxobutanoic acid
CID 70453795
2-methoxy-5-[[methyl(pentan-3-yl)amino]methyl]benzoic acid
CID 65339124
2-methoxy-5-[[methyl(2-methylbutan-2-yl)amino]methyl]benzoic acid
CID 65339608
3-amino-1-(5-ethyl-2-methoxyphenyl)-2,2-dimethylpropan-1-one
CID 116915679
5-(2-ethoxycarbonylpentyl)-2-methoxybenzoic acid
CID 11022762
5-[[2-ethoxyethyl(methyl)amino]methyl]-2-methoxybenzoic acid
CID 81067675

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methoxybenzoic acid?
The IUPAC name of 5-ethyl-2-methoxybenzoic acid (CID 20721149) is 5-ethyl-2-methoxybenzoic acid.
What is the SMILES notation for 5-ethyl-2-methoxybenzoic acid?
The canonical SMILES for 5-ethyl-2-methoxybenzoic acid is CCc1ccc(OC)c(C(=O)O)c1.
What is the InChIKey of 5-ethyl-2-methoxybenzoic acid?
The InChIKey is ICNRRZRXHDBVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-3-7-4-5-9(13-2)8(6-7)10(11)12/h4-6H,3H2,1-2H3,(H,11,12).
What are the key properties of 5-ethyl-2-methoxybenzoic acid?
5-ethyl-2-methoxybenzoic acid has a molecular weight of 180.20 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methoxybenzoic acid is sourced from PubChem (CID 20721149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).