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

C12H16O4 — CID 112512140

IUPAC2-[4-(2-methoxyethoxy)phenyl]propanoic acid
SMILESCOCCOc1ccc(C(C)C(=O)O)cc1
InChIInChI=1S/C12H16O4/c1-9(12(13)14)10-3-5-11(6-4-10)16-8-7-15-2/h3-6,9H,7-8H2,1-2H3,(H,13,14)
InChIKeyQAFFTGDQCNSKKG-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.90
Rot. Bonds6

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

2-[4-(2-methoxyethoxy)phenyl]propanoic acid (PubChem CID 112512140) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-[4-(2-methoxyethoxy)phenyl]propanoic acid.

Molecular Properties

Compound Name2-[4-(2-methoxyethoxy)phenyl]propanoic acid
PubChem CID112512140
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name2-[4-(2-methoxyethoxy)phenyl]propanoic acid
SMILESCOCCOc1ccc(C(C)C(=O)O)cc1
InChIInChI=1S/C12H16O4/c1-9(12(13)14)10-3-5-11(6-4-10)16-8-7-15-2/h3-6,9H,7-8H2,1-2H3,(H,13,14)
InChIKeyQAFFTGDQCNSKKG-UHFFFAOYSA-N
XLogP1.90
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.90
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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Related Compounds

2-[4-(methoxymethoxy)phenyl]propanoic acid
CID 117046311
2-chloro-2-[4-(2-methoxyethoxy)phenyl]acetic acid
CID 112512422
2-amino-2-[4-(2-methoxyethoxy)phenyl]acetic acid
CID 77128718
N-acetyl-2-[4-(2-methoxyethoxy)phenyl]propanamide
CID 71176755
2-[4-(2-cyclopentylethoxy)phenyl]propanoic acid
CID 143002013
2-hydroxy-3-[4-(2-methoxyethoxy)phenoxy]propanoic acid
CID 102149815
2-[4-(1-carboxyethyl)phenyl]propanoic acid
CID 601009
2-[4-[3-(1-hydroxypropan-2-ylamino)propoxy]phenyl]propanoic acid
CID 67895502
methyl 2-hydroxy-2-[4-(2-methoxyethoxy)phenyl]acetate
CID 117353011
methoxy-[4-[4-(2-methoxyethoxy)phenyl]phenyl]methanol
CID 134401499
1,2-bis[4-(2-methoxyethoxy)phenyl]ethane-1,2-diamine
CID 101255138
2-(4-phenoxyphenyl)propanoic acid
CID 527817

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyethoxy)phenyl]propanoic acid?
The IUPAC name of 2-[4-(2-methoxyethoxy)phenyl]propanoic acid (CID 112512140) is 2-[4-(2-methoxyethoxy)phenyl]propanoic acid.
What is the SMILES notation for 2-[4-(2-methoxyethoxy)phenyl]propanoic acid?
The canonical SMILES for 2-[4-(2-methoxyethoxy)phenyl]propanoic acid is COCCOc1ccc(C(C)C(=O)O)cc1.
What is the InChIKey of 2-[4-(2-methoxyethoxy)phenyl]propanoic acid?
The InChIKey is QAFFTGDQCNSKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-9(12(13)14)10-3-5-11(6-4-10)16-8-7-15-2/h3-6,9H,7-8H2,1-2H3,(H,13,14).
What are the key properties of 2-[4-(2-methoxyethoxy)phenyl]propanoic acid?
2-[4-(2-methoxyethoxy)phenyl]propanoic acid has a molecular weight of 224.26 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyethoxy)phenyl]propanoic acid is sourced from PubChem (CID 112512140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).