2-(2-ethoxy-3-methoxyphenyl)acetate

C11H13O4- — CID 7139419

IUPAC2-(2-ethoxy-3-methoxyphenyl)acetate
SMILESCCOc1c(CC(=O)[O-])cccc1OC
InChIInChI=1S/C11H14O4/c1-3-15-11-8(7-10(12)13)5-4-6-9(11)14-2/h4-6H,3,7H2,1-2H3,(H,12,13)/p-1
InChIKeyYTYPTSSUWVJINV-UHFFFAOYSA-M
MW209.22 g/mol
LogP0.39
Rot. Bonds5

About 2-(2-ethoxy-3-methoxyphenyl)acetate

2-(2-ethoxy-3-methoxyphenyl)acetate (PubChem CID 7139419) has the molecular formula C11H13O4- and a molecular weight of 209.22 g/mol. Its IUPAC name is 2-(2-ethoxy-3-methoxyphenyl)acetate.

Molecular Properties

Compound Name2-(2-ethoxy-3-methoxyphenyl)acetate
PubChem CID7139419
Molecular FormulaC11H13O4-
Molecular Weight209.22 g/mol
Exact Mass209.08
IUPAC Name2-(2-ethoxy-3-methoxyphenyl)acetate
SMILESCCOc1c(CC(=O)[O-])cccc1OC
InChIInChI=1S/C11H14O4/c1-3-15-11-8(7-10(12)13)5-4-6-9(11)14-2/h4-6H,3,7H2,1-2H3,(H,12,13)/p-1
InChIKeyYTYPTSSUWVJINV-UHFFFAOYSA-M
XLogP0.39
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethoxy-3-methoxyphenyl)propan-2-one
CID 13306100
4-(2-ethoxy-3-methoxyphenyl)-2-oxobutanoic acid
CID 82185770
(2-ethoxy-3-methoxyphenyl)methyl hydrogen sulfite
CID 174696500
2-amino-3-(2-ethoxy-3-methoxyphenyl)propan-1-ol
CID 170893212
3-(2-ethoxy-3-methoxyphenyl)-2-phenylpropanoic acid
CID 20984694
2-[(2-ethoxy-3-methoxyphenyl)methylamino]propanoic acid
CID 66525793
2-ethoxy-3-methoxybenzoyl chloride
CID 21314777
methyl 2-ethoxy-3-methoxybenzoate
CID 45094190
ethyl 2-ethoxy-3-methoxybenzoate
CID 82186199
2-bromo-1-(2-ethoxy-3-methoxyphenyl)propan-1-one
CID 134618688
cis-(1S,2R)-2-[(2-ethoxy-3-methoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 42232047
cis-(1R,2S)-2-[(2-ethoxy-3-methoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 42232053

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-3-methoxyphenyl)acetate?
The IUPAC name of 2-(2-ethoxy-3-methoxyphenyl)acetate (CID 7139419) is 2-(2-ethoxy-3-methoxyphenyl)acetate.
What is the SMILES notation for 2-(2-ethoxy-3-methoxyphenyl)acetate?
The canonical SMILES for 2-(2-ethoxy-3-methoxyphenyl)acetate is CCOc1c(CC(=O)[O-])cccc1OC.
What is the InChIKey of 2-(2-ethoxy-3-methoxyphenyl)acetate?
The InChIKey is YTYPTSSUWVJINV-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H14O4/c1-3-15-11-8(7-10(12)13)5-4-6-9(11)14-2/h4-6H,3,7H2,1-2H3,(H,12,13)/p-1.
What are the key properties of 2-(2-ethoxy-3-methoxyphenyl)acetate?
2-(2-ethoxy-3-methoxyphenyl)acetate has a molecular weight of 209.22 g/mol, XLogP of 0.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-3-methoxyphenyl)acetate is sourced from PubChem (CID 7139419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).