2-(3-ethoxy-4-propoxyphenyl)acetate

C13H17O4- — CID 7139426

IUPAC2-(3-ethoxy-4-propoxyphenyl)acetate
SMILESCCCOc1ccc(CC(=O)[O-])cc1OCC
InChIInChI=1S/C13H18O4/c1-3-7-17-11-6-5-10(9-13(14)15)8-12(11)16-4-2/h5-6,8H,3-4,7,9H2,1-2H3,(H,14,15)/p-1
InChIKeyBQZLSVNHKXYJFC-UHFFFAOYSA-M
MW237.27 g/mol
LogP1.17
Rot. Bonds7

About 2-(3-ethoxy-4-propoxyphenyl)acetate

2-(3-ethoxy-4-propoxyphenyl)acetate (PubChem CID 7139426) has the molecular formula C13H17O4- and a molecular weight of 237.27 g/mol. Its IUPAC name is 2-(3-ethoxy-4-propoxyphenyl)acetate.

Molecular Properties

Compound Name2-(3-ethoxy-4-propoxyphenyl)acetate
PubChem CID7139426
Molecular FormulaC13H17O4-
Molecular Weight237.27 g/mol
Exact Mass237.11
IUPAC Name2-(3-ethoxy-4-propoxyphenyl)acetate
SMILESCCCOc1ccc(CC(=O)[O-])cc1OCC
InChIInChI=1S/C13H18O4/c1-3-7-17-11-6-5-10(9-13(14)15)8-12(11)16-4-2/h5-6,8H,3-4,7,9H2,1-2H3,(H,14,15)/p-1
InChIKeyBQZLSVNHKXYJFC-UHFFFAOYSA-M
XLogP1.17
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-butoxy-3-ethoxyphenyl)butan-2-one
CID 82160747
2-(3-ethoxy-4-pentoxyphenyl)acetic acid
CID 7139429
2-(3-ethoxy-4-propoxyphenyl)acetaldehyde
CID 82362954
2-amino-3-(3-ethoxy-4-propoxyphenyl)propanoic acid
CID 170879715
2-[(3-ethoxy-4-propoxyphenyl)methylamino]butanoic acid
CID 82364745
1-(3-ethoxy-4-propoxyphenyl)propan-2-ol
CID 82161162
4-[[(3-ethoxy-4-propoxyphenyl)methylamino]methyl]benzoic acid
CID 29227556
4-[(3-ethoxy-4-propoxyphenyl)methylamino]-2,2-dimethylbutanoic acid
CID 122126744
N-[(3-ethoxy-4-propoxyphenyl)methyl]propan-1-amine
CID 2104080
2-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]acetic acid
CID 7139432
2-(3-ethoxy-4-methoxyphenyl)acetic acid
CID 7144569
propyl 2-[4-[2-(dipropylamino)-2-oxoethoxy]-3-propoxyphenyl]acetate
CID 11574730

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxy-4-propoxyphenyl)acetate?
The IUPAC name of 2-(3-ethoxy-4-propoxyphenyl)acetate (CID 7139426) is 2-(3-ethoxy-4-propoxyphenyl)acetate.
What is the SMILES notation for 2-(3-ethoxy-4-propoxyphenyl)acetate?
The canonical SMILES for 2-(3-ethoxy-4-propoxyphenyl)acetate is CCCOc1ccc(CC(=O)[O-])cc1OCC.
What is the InChIKey of 2-(3-ethoxy-4-propoxyphenyl)acetate?
The InChIKey is BQZLSVNHKXYJFC-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H18O4/c1-3-7-17-11-6-5-10(9-13(14)15)8-12(11)16-4-2/h5-6,8H,3-4,7,9H2,1-2H3,(H,14,15)/p-1.
What are the key properties of 2-(3-ethoxy-4-propoxyphenyl)acetate?
2-(3-ethoxy-4-propoxyphenyl)acetate has a molecular weight of 237.27 g/mol, XLogP of 1.17, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxy-4-propoxyphenyl)acetate is sourced from PubChem (CID 7139426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).