2-ethoxy-6-propylbenzoic acid

C12H16O3 — CID 142472864

IUPAC2-ethoxy-6-propylbenzoic acid
SMILESCCCc1cccc(OCC)c1C(=O)O
InChIInChI=1S/C12H16O3/c1-3-6-9-7-5-8-10(15-4-2)11(9)12(13)14/h5,7-8H,3-4,6H2,1-2H3,(H,13,14)
InChIKeyMZRAGDCSXARSDE-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.74
Rot. Bonds5

About 2-ethoxy-6-propylbenzoic acid

2-ethoxy-6-propylbenzoic acid (PubChem CID 142472864) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-ethoxy-6-propylbenzoic acid.

Molecular Properties

Compound Name2-ethoxy-6-propylbenzoic acid
PubChem CID142472864
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name2-ethoxy-6-propylbenzoic acid
SMILESCCCc1cccc(OCC)c1C(=O)O
InChIInChI=1S/C12H16O3/c1-3-6-9-7-5-8-10(15-4-2)11(9)12(13)14/h5,7-8H,3-4,6H2,1-2H3,(H,13,14)
InChIKeyMZRAGDCSXARSDE-UHFFFAOYSA-N
XLogP2.74
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-decyl-6-methoxybenzoic acid
CID 20757679
1-(2-ethoxy-6-ethylphenyl)ethanone
CID 147544535
2-(1-chloro-2-oxopropyl)-6-ethoxybenzoic acid
CID 170837659
1-(3-ethoxy-2-prop-2-enoyl-6-propylphenyl)prop-2-en-1-one
CID 141071833
ethyl 2-(2-cyanoethyl)-6-ethoxybenzoate
CID 134641279
2-ethoxy-1,3-dipropylbenzene
CID 14665558
2-ethoxy-6-pyrazol-1-ylbenzoic acid
CID 150534802
1-(2-ethoxy-6-methylphenyl)ethanone
CID 54221624
3-ethoxy-2-hydroxybenzoic acid
CID 13026922
2,4-diethoxypyridine-3-carboxylic acid
CID 90411373
2-methoxy-6-(5-phenylpentyl)benzoic acid
CID 46735473
cyclopropyl-(2-methoxy-6-propylphenyl)methanone
CID 71021142

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-propylbenzoic acid?
The IUPAC name of 2-ethoxy-6-propylbenzoic acid (CID 142472864) is 2-ethoxy-6-propylbenzoic acid.
What is the SMILES notation for 2-ethoxy-6-propylbenzoic acid?
The canonical SMILES for 2-ethoxy-6-propylbenzoic acid is CCCc1cccc(OCC)c1C(=O)O.
What is the InChIKey of 2-ethoxy-6-propylbenzoic acid?
The InChIKey is MZRAGDCSXARSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-3-6-9-7-5-8-10(15-4-2)11(9)12(13)14/h5,7-8H,3-4,6H2,1-2H3,(H,13,14).
What are the key properties of 2-ethoxy-6-propylbenzoic acid?
2-ethoxy-6-propylbenzoic acid has a molecular weight of 208.26 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-propylbenzoic acid is sourced from PubChem (CID 142472864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).