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

C14H20O3 — CID 167220539

IUPAC3-[4-(3-methylbutoxy)phenyl]propanoic acid
SMILESCC(C)CCOc1ccc(CCC(=O)O)cc1
InChIInChI=1S/C14H20O3/c1-11(2)9-10-17-13-6-3-12(4-7-13)5-8-14(15)16/h3-4,6-7,11H,5,8-10H2,1-2H3,(H,15,16)
InChIKeyGFILGZFEMJCECU-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.13
Rot. Bonds7

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

3-[4-(3-methylbutoxy)phenyl]propanoic acid (PubChem CID 167220539) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-[4-(3-methylbutoxy)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-(3-methylbutoxy)phenyl]propanoic acid
PubChem CID167220539
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name3-[4-(3-methylbutoxy)phenyl]propanoic acid
SMILESCC(C)CCOc1ccc(CCC(=O)O)cc1
InChIInChI=1S/C14H20O3/c1-11(2)9-10-17-13-6-3-12(4-7-13)5-8-14(15)16/h3-4,6-7,11H,5,8-10H2,1-2H3,(H,15,16)
InChIKeyGFILGZFEMJCECU-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-[2-(methylamino)ethoxy]phenyl]propanoic acid
CID 117095187
3-[4-[3-amino-4-[(2-methylpropan-2-yl)oxy]-4-oxobutoxy]phenyl]propanoic acid
CID 70088992
2-amino-3-[4-(3-methylbutoxy)phenyl]propanoic acid;hydrochloride
CID 118157824
2-[4-(3-methylbutoxy)phenyl]acetate
CID 6947053
7-[4-(2-methylpropyl)phenoxy]heptanoic acid
CID 59134606
3-[4-[3-(dimethylamino)propoxy]phenyl]propanoic acid
CID 20986252
2-[4-(3-methylbutoxy)phenyl]ethanamine
CID 16786544
methyl 3-[4-(11-methyldodecoxy)phenyl]propanoate
CID 15616993
4-[4-(2-methylpropoxy)phenyl]butanoic acid
CID 82050407
1-ethyl-4-(3-methylbutoxy)benzene
CID 60722998
3-[4-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]phenyl]propanoic acid
CID 20986745
methyl (2R)-3-methyl-2-[[4-(3-methylbutoxy)phenyl]methyl]butanoate
CID 134353754

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-methylbutoxy)phenyl]propanoic acid?
The IUPAC name of 3-[4-(3-methylbutoxy)phenyl]propanoic acid (CID 167220539) is 3-[4-(3-methylbutoxy)phenyl]propanoic acid.
What is the SMILES notation for 3-[4-(3-methylbutoxy)phenyl]propanoic acid?
The canonical SMILES for 3-[4-(3-methylbutoxy)phenyl]propanoic acid is CC(C)CCOc1ccc(CCC(=O)O)cc1.
What is the InChIKey of 3-[4-(3-methylbutoxy)phenyl]propanoic acid?
The InChIKey is GFILGZFEMJCECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-11(2)9-10-17-13-6-3-12(4-7-13)5-8-14(15)16/h3-4,6-7,11H,5,8-10H2,1-2H3,(H,15,16).
What are the key properties of 3-[4-(3-methylbutoxy)phenyl]propanoic acid?
3-[4-(3-methylbutoxy)phenyl]propanoic acid has a molecular weight of 236.31 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-methylbutoxy)phenyl]propanoic acid is sourced from PubChem (CID 167220539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).