2-(4-ethoxyphenyl)-2-methoxyacetic acid

C11H14O4 — CID 83224411

IUPAC2-(4-ethoxyphenyl)-2-methoxyacetic acid
SMILESCCOc1ccc(C(OC)C(=O)O)cc1
InChIInChI=1S/C11H14O4/c1-3-15-9-6-4-8(5-7-9)10(14-2)11(12)13/h4-7,10H,3H2,1-2H3,(H,12,13)
InChIKeyMZLFMNWYLICVSI-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.86
Rot. Bonds5

About 2-(4-ethoxyphenyl)-2-methoxyacetic acid

2-(4-ethoxyphenyl)-2-methoxyacetic acid (PubChem CID 83224411) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-2-methoxyacetic acid.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-2-methoxyacetic acid
PubChem CID83224411
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name2-(4-ethoxyphenyl)-2-methoxyacetic acid
SMILESCCOc1ccc(C(OC)C(=O)O)cc1
InChIInChI=1S/C11H14O4/c1-3-15-9-6-4-8(5-7-9)10(14-2)11(12)13/h4-7,10H,3H2,1-2H3,(H,12,13)
InChIKeyMZLFMNWYLICVSI-UHFFFAOYSA-N
XLogP1.86
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-methoxy-2-(4-phenoxyphenyl)acetic acid
CID 129384207
(2S)-2-amino-2-(4-ethoxyphenyl)acetic acid;hydrochloride
CID 162344172
2-(4-ethoxyphenyl)-2-(4-methylphenyl)acetic acid
CID 82023855
2-[4-(difluoromethyl)phenyl]-2-methoxyacetic acid
CID 116769538
2-cyano-2-(4-ethoxyphenyl)acetic acid
CID 63272630
2-amino-3-(4-ethoxyphenyl)-3-(methylamino)propanoic acid
CID 116957355
(2R)-2-methoxy-2-(4-phenylphenyl)acetic acid
CID 124603467
methyl 2-(4-ethoxyphenyl)-2-hydroxyacetate
CID 62214123
methyl 2-(4-ethoxyphenyl)propanoate
CID 62394502
2-methoxy-2-(4-methoxycarbonylphenyl)acetic acid
CID 21261883
2-(3-ethoxyphenoxy)-2-phenylacetic acid
CID 62338438
(3S)-3-acetamido-3-(4-ethoxyphenyl)propanoic acid
CID 686146

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-2-methoxyacetic acid?
The IUPAC name of 2-(4-ethoxyphenyl)-2-methoxyacetic acid (CID 83224411) is 2-(4-ethoxyphenyl)-2-methoxyacetic acid.
What is the SMILES notation for 2-(4-ethoxyphenyl)-2-methoxyacetic acid?
The canonical SMILES for 2-(4-ethoxyphenyl)-2-methoxyacetic acid is CCOc1ccc(C(OC)C(=O)O)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-2-methoxyacetic acid?
The InChIKey is MZLFMNWYLICVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-3-15-9-6-4-8(5-7-9)10(14-2)11(12)13/h4-7,10H,3H2,1-2H3,(H,12,13).
What are the key properties of 2-(4-ethoxyphenyl)-2-methoxyacetic acid?
2-(4-ethoxyphenyl)-2-methoxyacetic acid has a molecular weight of 210.23 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-2-methoxyacetic acid is sourced from PubChem (CID 83224411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).