ethyl 2-(2-hydroxyethoxy)-6-methylbenzoate

C12H16O4 — CID 10585223

IUPACethyl 2-(2-hydroxyethoxy)-6-methylbenzoate
SMILESCCOC(=O)c1c(C)cccc1OCCO
InChIInChI=1S/C12H16O4/c1-3-15-12(14)11-9(2)5-4-6-10(11)16-8-7-13/h4-6,13H,3,7-8H2,1-2H3
InChIKeyFVICQDGLYQBNTA-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.54
Rot. Bonds5

About ethyl 2-(2-hydroxyethoxy)-6-methylbenzoate

ethyl 2-(2-hydroxyethoxy)-6-methylbenzoate (PubChem CID 10585223) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is ethyl 2-(2-hydroxyethoxy)-6-methylbenzoate.

Molecular Properties

Compound Nameethyl 2-(2-hydroxyethoxy)-6-methylbenzoate
PubChem CID10585223
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Nameethyl 2-(2-hydroxyethoxy)-6-methylbenzoate
SMILESCCOC(=O)c1c(C)cccc1OCCO
InChIInChI=1S/C12H16O4/c1-3-15-12(14)11-9(2)5-4-6-10(11)16-8-7-13/h4-6,13H,3,7-8H2,1-2H3
InChIKeyFVICQDGLYQBNTA-UHFFFAOYSA-N
XLogP1.54
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2,6-dimethylbenzoate
CID 520807
ethyl 2-methyl-6-phenylmethoxybenzoate
CID 67461909
1-(2-ethoxy-6-methylphenyl)ethanone
CID 54221624
ethyl 2-methyl-6-phenylbenzoate
CID 86249615
2,6-bis(2-hydroxyethoxy)benzoic acid
CID 54256937
ethyl 2-methyl-6-(2-oxopropyl)benzoate
CID 134632319
ethyl 2-methyl-6-(trifluoromethylsulfonyloxy)benzoate
CID 22241348
2-[2-(2-hydroxyethoxy)-3-methylphenoxy]ethanol
CID 139797700
2-pyrrolidin-1-ylethyl 2-butoxy-6-methylbenzoate
CID 3056944
ethyl 2-methyl-6-methylsulfanylbenzoate
CID 91880992
ethyl 2-(aminomethyl)-6-methylbenzoate;hydrochloride
CID 121231840
2-hydroxyethyl 2-amino-6-methoxybenzoate
CID 81413891

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-hydroxyethoxy)-6-methylbenzoate?
The IUPAC name of ethyl 2-(2-hydroxyethoxy)-6-methylbenzoate (CID 10585223) is ethyl 2-(2-hydroxyethoxy)-6-methylbenzoate.
What is the SMILES notation for ethyl 2-(2-hydroxyethoxy)-6-methylbenzoate?
The canonical SMILES for ethyl 2-(2-hydroxyethoxy)-6-methylbenzoate is CCOC(=O)c1c(C)cccc1OCCO.
What is the InChIKey of ethyl 2-(2-hydroxyethoxy)-6-methylbenzoate?
The InChIKey is FVICQDGLYQBNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-3-15-12(14)11-9(2)5-4-6-10(11)16-8-7-13/h4-6,13H,3,7-8H2,1-2H3.
What are the key properties of ethyl 2-(2-hydroxyethoxy)-6-methylbenzoate?
ethyl 2-(2-hydroxyethoxy)-6-methylbenzoate has a molecular weight of 224.26 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-hydroxyethoxy)-6-methylbenzoate is sourced from PubChem (CID 10585223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).