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

C11H14O4 — CID 65364927

IUPAC2-[3-(ethoxymethoxy)phenyl]acetic acid
SMILESCCOCOc1cccc(CC(=O)O)c1
InChIInChI=1S/C11H14O4/c1-2-14-8-15-10-5-3-4-9(6-10)7-11(12)13/h3-6H,2,7-8H2,1H3,(H,12,13)
InChIKeyCMROTCHMPXKSAH-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.69
Rot. Bonds6

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

2-[3-(ethoxymethoxy)phenyl]acetic acid (PubChem CID 65364927) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-[3-(ethoxymethoxy)phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-(ethoxymethoxy)phenyl]acetic acid
PubChem CID65364927
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name2-[3-(ethoxymethoxy)phenyl]acetic acid
SMILESCCOCOc1cccc(CC(=O)O)c1
InChIInChI=1S/C11H14O4/c1-2-14-8-15-10-5-3-4-9(6-10)7-11(12)13/h3-6H,2,7-8H2,1H3,(H,12,13)
InChIKeyCMROTCHMPXKSAH-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[3-(2,2,2-trifluoroethoxymethoxy)phenyl]acetic acid
CID 106704428
2-[3-[2-[ethyl(methyl)amino]-2-oxoethoxy]phenyl]acetic acid
CID 61398190
2-(3-octoxyphenyl)acetic acid
CID 11975056
2-[3-(bromomethoxy)phenyl]acetic acid
CID 151200250
2-[3-(2-fluoro-2-methylpropoxy)phenyl]acetic acid
CID 84690473
2-[3-(2,2-difluoropropoxy)phenyl]acetic acid
CID 84693368
2-[3-[2-(4-chlorophenoxy)ethoxy]phenyl]acetic acid
CID 61398226
2-(3-fluorooxyphenyl)acetic acid
CID 69494655
2-(3-trimethylsilyloxyphenyl)acetic acid
CID 167737399
2-(3-ethoxyphenyl)acetyl chloride
CID 22994163
2-[3-(4-phenylbutoxy)phenyl]acetic acid
CID 114332927
2-[4-[(3-ethoxyphenoxy)methyl]phenyl]acetic acid
CID 105344950

Frequently Asked Questions

What is the IUPAC name of 2-[3-(ethoxymethoxy)phenyl]acetic acid?
The IUPAC name of 2-[3-(ethoxymethoxy)phenyl]acetic acid (CID 65364927) is 2-[3-(ethoxymethoxy)phenyl]acetic acid.
What is the SMILES notation for 2-[3-(ethoxymethoxy)phenyl]acetic acid?
The canonical SMILES for 2-[3-(ethoxymethoxy)phenyl]acetic acid is CCOCOc1cccc(CC(=O)O)c1.
What is the InChIKey of 2-[3-(ethoxymethoxy)phenyl]acetic acid?
The InChIKey is CMROTCHMPXKSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-2-14-8-15-10-5-3-4-9(6-10)7-11(12)13/h3-6H,2,7-8H2,1H3,(H,12,13).
What are the key properties of 2-[3-(ethoxymethoxy)phenyl]acetic acid?
2-[3-(ethoxymethoxy)phenyl]acetic acid has a molecular weight of 210.23 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(ethoxymethoxy)phenyl]acetic acid is sourced from PubChem (CID 65364927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).