2-ethyl-4-methoxybenzoate

C10H11O3- — CID 23362607

IUPAC2-ethyl-4-methoxybenzoate
SMILESCCc1cc(OC)ccc1C(=O)[O-]
InChIInChI=1S/C10H12O3/c1-3-7-6-8(13-2)4-5-9(7)10(11)12/h4-6H,3H2,1-2H3,(H,11,12)/p-1
InChIKeyUSJWJQZAWFTHCO-UHFFFAOYSA-M
MW179.19 g/mol
LogP0.62
Rot. Bonds3

About 2-ethyl-4-methoxybenzoate

2-ethyl-4-methoxybenzoate (PubChem CID 23362607) has the molecular formula C10H11O3- and a molecular weight of 179.19 g/mol. Its IUPAC name is 2-ethyl-4-methoxybenzoate.

Molecular Properties

Compound Name2-ethyl-4-methoxybenzoate
PubChem CID23362607
Molecular FormulaC10H11O3-
Molecular Weight179.19 g/mol
Exact Mass179.07
IUPAC Name2-ethyl-4-methoxybenzoate
SMILESCCc1cc(OC)ccc1C(=O)[O-]
InChIInChI=1S/C10H12O3/c1-3-7-6-8(13-2)4-5-9(7)10(11)12/h4-6H,3H2,1-2H3,(H,11,12)/p-1
InChIKeyUSJWJQZAWFTHCO-UHFFFAOYSA-M
XLogP0.62
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-4-methoxy-1-prop-1-en-2-ylbenzene
CID 70232732
2,4-dimethoxybenzoate
CID 6947027
2-(carboxylatomethyl)-5-methoxybenzoate
CID 2305422
2-[1-(2-ethyl-4-methoxyphenyl)propylidene]propanedioic acid
CID 69344543
(E)-3-(2-ethyl-4-methoxyphenyl)hex-2-enoic acid
CID 83959086
2-(2,2-dichloroethyl)-5-methoxybenzoate
CID 6920239
methyl 2-ethyl-5-methoxybenzoate
CID 89096132
1-(2-butyl-4-methoxyphenyl)ethanone
CID 67001427
ethyl 2-(bromomethyl)-4-methoxybenzoate
CID 10333471
methyl 2-(2-acetyl-5-methoxyphenyl)acetate
CID 10632802
2-acetamido-5-methoxybenzoate
CID 6928297
(2-ethyl-4-methoxyphenyl)-piperidin-3-ylmethanone
CID 82552052

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methoxybenzoate?
The IUPAC name of 2-ethyl-4-methoxybenzoate (CID 23362607) is 2-ethyl-4-methoxybenzoate.
What is the SMILES notation for 2-ethyl-4-methoxybenzoate?
The canonical SMILES for 2-ethyl-4-methoxybenzoate is CCc1cc(OC)ccc1C(=O)[O-].
What is the InChIKey of 2-ethyl-4-methoxybenzoate?
The InChIKey is USJWJQZAWFTHCO-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H12O3/c1-3-7-6-8(13-2)4-5-9(7)10(11)12/h4-6H,3H2,1-2H3,(H,11,12)/p-1.
What are the key properties of 2-ethyl-4-methoxybenzoate?
2-ethyl-4-methoxybenzoate has a molecular weight of 179.19 g/mol, XLogP of 0.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methoxybenzoate is sourced from PubChem (CID 23362607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).