2-[4-(ethoxymethyl)phenyl]propanoic acid

C12H16O3 — CID 83883711

IUPAC2-[4-(ethoxymethyl)phenyl]propanoic acid
SMILESCCOCc1ccc(C(C)C(=O)O)cc1
InChIInChI=1S/C12H16O3/c1-3-15-8-10-4-6-11(7-5-10)9(2)12(13)14/h4-7,9H,3,8H2,1-2H3,(H,13,14)
InChIKeySAIIUBVDZGQIOJ-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.41
Rot. Bonds5

About 2-[4-(ethoxymethyl)phenyl]propanoic acid

2-[4-(ethoxymethyl)phenyl]propanoic acid (PubChem CID 83883711) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-[4-(ethoxymethyl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-[4-(ethoxymethyl)phenyl]propanoic acid
PubChem CID83883711
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name2-[4-(ethoxymethyl)phenyl]propanoic acid
SMILESCCOCc1ccc(C(C)C(=O)O)cc1
InChIInChI=1S/C12H16O3/c1-3-15-8-10-4-6-11(7-5-10)9(2)12(13)14/h4-7,9H,3,8H2,1-2H3,(H,13,14)
InChIKeySAIIUBVDZGQIOJ-UHFFFAOYSA-N
XLogP2.41
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(2-ethylbutoxymethyl)phenyl]propanoic acid
CID 114208234
2-[4-[(4-bromophenyl)methoxymethyl]phenyl]propanoic acid
CID 105345020
ethoxyethane;2-phenylpropanoic acid
CID 174766454
2-[4-(cyclopentylmethoxymethyl)phenyl]propanoic acid
CID 105344994
2-[4-(1-carboxyethyl)phenyl]propanoic acid
CID 601009
2-(4-propylphenyl)propanoic acid
CID 14880971
2-[4-(1-phenylethoxymethyl)phenyl]propanoic acid
CID 105344853
(2R)-3-[4-[(1R)-1-carboxyethyl]phenyl]-2-methylpropanoic acid
CID 14367773
(2R)-2-[4-(sulfanylmethyl)phenyl]propanoic acid
CID 141071561
2-[4-(cyclobutyloxymethyl)phenyl]propanoic acid
CID 105344947
CID 175760114
CID 175760114
Ibuprofen (sodium)
CID 45052535

Frequently Asked Questions

What is the IUPAC name of 2-[4-(ethoxymethyl)phenyl]propanoic acid?
The IUPAC name of 2-[4-(ethoxymethyl)phenyl]propanoic acid (CID 83883711) is 2-[4-(ethoxymethyl)phenyl]propanoic acid.
What is the SMILES notation for 2-[4-(ethoxymethyl)phenyl]propanoic acid?
The canonical SMILES for 2-[4-(ethoxymethyl)phenyl]propanoic acid is CCOCc1ccc(C(C)C(=O)O)cc1.
What is the InChIKey of 2-[4-(ethoxymethyl)phenyl]propanoic acid?
The InChIKey is SAIIUBVDZGQIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-3-15-8-10-4-6-11(7-5-10)9(2)12(13)14/h4-7,9H,3,8H2,1-2H3,(H,13,14).
What are the key properties of 2-[4-(ethoxymethyl)phenyl]propanoic acid?
2-[4-(ethoxymethyl)phenyl]propanoic acid has a molecular weight of 208.26 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(ethoxymethyl)phenyl]propanoic acid is sourced from PubChem (CID 83883711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).