2-[3-(2-methoxyethoxy)phenyl]acetic acid

C11H14O4 — CID 61398185

IUPAC2-[3-(2-methoxyethoxy)phenyl]acetic acid
SMILESCOCCOc1cccc(CC(=O)O)c1
InChIInChI=1S/C11H14O4/c1-14-5-6-15-10-4-2-3-9(7-10)8-11(12)13/h2-4,7H,5-6,8H2,1H3,(H,12,13)
InChIKeyHKYOIHOUDNWCTD-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.34
Rot. Bonds6

About 2-[3-(2-methoxyethoxy)phenyl]acetic acid

2-[3-(2-methoxyethoxy)phenyl]acetic acid (PubChem CID 61398185) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-[3-(2-methoxyethoxy)phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-(2-methoxyethoxy)phenyl]acetic acid
PubChem CID61398185
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name2-[3-(2-methoxyethoxy)phenyl]acetic acid
SMILESCOCCOc1cccc(CC(=O)O)c1
InChIInChI=1S/C11H14O4/c1-14-5-6-15-10-4-2-3-9(7-10)8-11(12)13/h2-4,7H,5-6,8H2,1H3,(H,12,13)
InChIKeyHKYOIHOUDNWCTD-UHFFFAOYSA-N
XLogP1.34
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxyethoxy)phenyl]acetic acid?
The IUPAC name of 2-[3-(2-methoxyethoxy)phenyl]acetic acid (CID 61398185) is 2-[3-(2-methoxyethoxy)phenyl]acetic acid.
What is the SMILES notation for 2-[3-(2-methoxyethoxy)phenyl]acetic acid?
The canonical SMILES for 2-[3-(2-methoxyethoxy)phenyl]acetic acid is COCCOc1cccc(CC(=O)O)c1.
What is the InChIKey of 2-[3-(2-methoxyethoxy)phenyl]acetic acid?
The InChIKey is HKYOIHOUDNWCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-14-5-6-15-10-4-2-3-9(7-10)8-11(12)13/h2-4,7H,5-6,8H2,1H3,(H,12,13).
What are the key properties of 2-[3-(2-methoxyethoxy)phenyl]acetic acid?
2-[3-(2-methoxyethoxy)phenyl]acetic acid has a molecular weight of 210.23 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxyethoxy)phenyl]acetic acid is sourced from PubChem (CID 61398185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).