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

C11H14O4 — CID 117046311

IUPAC2-[4-(methoxymethoxy)phenyl]propanoic acid
SMILESCOCOc1ccc(C(C)C(=O)O)cc1
InChIInChI=1S/C11H14O4/c1-8(11(12)13)9-3-5-10(6-4-9)15-7-14-2/h3-6,8H,7H2,1-2H3,(H,12,13)
InChIKeyMLIPWOUFSZORRN-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.86
Rot. Bonds5

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

2-[4-(methoxymethoxy)phenyl]propanoic acid (PubChem CID 117046311) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-[4-(methoxymethoxy)phenyl]propanoic acid.

Molecular Properties

Compound Name2-[4-(methoxymethoxy)phenyl]propanoic acid
PubChem CID117046311
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name2-[4-(methoxymethoxy)phenyl]propanoic acid
SMILESCOCOc1ccc(C(C)C(=O)O)cc1
InChIInChI=1S/C11H14O4/c1-8(11(12)13)9-3-5-10(6-4-9)15-7-14-2/h3-6,8H,7H2,1-2H3,(H,12,13)
InChIKeyMLIPWOUFSZORRN-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

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2-methoxyethoxy)phenyl]propanoic acid
CID 112512140
2-[4-(1-carboxyethyl)phenyl]propanoic acid
CID 601009
1,4-bis(methoxymethoxy)benzene
CID 542643
2-(4-phenoxyphenyl)propanoic acid
CID 527817
1-(4-methoxyphenyl)ethanone;2-(4-methoxyphenyl)propanoic acid
CID 157331478
2-chloro-2-[4-(2-methoxyethoxy)phenyl]acetic acid
CID 112512422
2-[4-(2-methylundecoxy)phenyl]propanoic acid
CID 58795117
2-[4-(2-cyclopentylethoxy)phenyl]propanoic acid
CID 143002013
2-[4-[3-(1-hydroxypropan-2-ylamino)propoxy]phenyl]propanoic acid
CID 67895502
1-[4-(methoxymethoxy)phenyl]ethanone;1-phenylethanone
CID 54405970
methyl 2-(4-ethoxyphenyl)propanoate
CID 62394502
2-[[4-(1-carboxyethyl)phenoxy]methyl]cyclohexane-1-carboxylic acid
CID 12832500

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methoxymethoxy)phenyl]propanoic acid?
The IUPAC name of 2-[4-(methoxymethoxy)phenyl]propanoic acid (CID 117046311) is 2-[4-(methoxymethoxy)phenyl]propanoic acid.
What is the SMILES notation for 2-[4-(methoxymethoxy)phenyl]propanoic acid?
The canonical SMILES for 2-[4-(methoxymethoxy)phenyl]propanoic acid is COCOc1ccc(C(C)C(=O)O)cc1.
What is the InChIKey of 2-[4-(methoxymethoxy)phenyl]propanoic acid?
The InChIKey is MLIPWOUFSZORRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-8(11(12)13)9-3-5-10(6-4-9)15-7-14-2/h3-6,8H,7H2,1-2H3,(H,12,13).
What are the key properties of 2-[4-(methoxymethoxy)phenyl]propanoic acid?
2-[4-(methoxymethoxy)phenyl]propanoic 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-(methoxymethoxy)phenyl]propanoic acid is sourced from PubChem (CID 117046311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).