3-[4-(3-methoxybutyl)phenyl]propanoic acid

C14H20O3 — CID 117114845

IUPAC3-[4-(3-methoxybutyl)phenyl]propanoic acid
SMILESCOC(C)CCc1ccc(CCC(=O)O)cc1
InChIInChI=1S/C14H20O3/c1-11(17-2)3-4-12-5-7-13(8-6-12)9-10-14(15)16/h5-8,11H,3-4,9-10H2,1-2H3,(H,15,16)
InChIKeyUOLBQUZQCWLSRZ-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.67
Rot. Bonds7

About 3-[4-(3-methoxybutyl)phenyl]propanoic acid

3-[4-(3-methoxybutyl)phenyl]propanoic acid (PubChem CID 117114845) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-[4-(3-methoxybutyl)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-(3-methoxybutyl)phenyl]propanoic acid
PubChem CID117114845
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name3-[4-(3-methoxybutyl)phenyl]propanoic acid
SMILESCOC(C)CCc1ccc(CCC(=O)O)cc1
InChIInChI=1S/C14H20O3/c1-11(17-2)3-4-12-5-7-13(8-6-12)9-10-14(15)16/h5-8,11H,3-4,9-10H2,1-2H3,(H,15,16)
InChIKeyUOLBQUZQCWLSRZ-UHFFFAOYSA-N
XLogP2.67
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-methoxybutyl)benzoic acid
CID 117111500
2-[4-(3-methoxybutyl)phenyl]-2-oxoacetic acid
CID 117109018
1-[4-(3-methoxybutyl)phenyl]propan-2-ol
CID 117114468
3-[4-(2-methoxypropylsulfamoyl)phenyl]propanoic acid
CID 102695591
2-[4-(3-methoxybutyl)phenyl]ethanamine
CID 117110832
3-[4-(3-methylbutoxy)phenyl]propanoic acid
CID 167220539
3-(4-methoxycarbonylphenyl)propanoic acid
CID 22716688
3-[4-(3-methoxypropyl)phenyl]propanoic acid
CID 58454931
3-[4-(methylaminomethyl)phenyl]propanoic acid
CID 138583919
[4-(2-carboxyethyl)phenyl]-di(propan-2-yl)sulfanium
CID 143652387
ethane;3-(4-ethylphenyl)propanoic acid;methoxyethane
CID 176991202
2-amino-2-[4-(3-methoxybutyl)phenyl]ethanol
CID 117115408

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-methoxybutyl)phenyl]propanoic acid?
The IUPAC name of 3-[4-(3-methoxybutyl)phenyl]propanoic acid (CID 117114845) is 3-[4-(3-methoxybutyl)phenyl]propanoic acid.
What is the SMILES notation for 3-[4-(3-methoxybutyl)phenyl]propanoic acid?
The canonical SMILES for 3-[4-(3-methoxybutyl)phenyl]propanoic acid is COC(C)CCc1ccc(CCC(=O)O)cc1.
What is the InChIKey of 3-[4-(3-methoxybutyl)phenyl]propanoic acid?
The InChIKey is UOLBQUZQCWLSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-11(17-2)3-4-12-5-7-13(8-6-12)9-10-14(15)16/h5-8,11H,3-4,9-10H2,1-2H3,(H,15,16).
What are the key properties of 3-[4-(3-methoxybutyl)phenyl]propanoic acid?
3-[4-(3-methoxybutyl)phenyl]propanoic acid has a molecular weight of 236.31 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-methoxybutyl)phenyl]propanoic acid is sourced from PubChem (CID 117114845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).