4-[4-(2-methylpropoxy)phenyl]butanoic acid

C14H20O3 — CID 82050407

IUPAC4-[4-(2-methylpropoxy)phenyl]butanoic acid
SMILESCC(C)COc1ccc(CCCC(=O)O)cc1
InChIInChI=1S/C14H20O3/c1-11(2)10-17-13-8-6-12(7-9-13)4-3-5-14(15)16/h6-9,11H,3-5,10H2,1-2H3,(H,15,16)
InChIKeyVEZUXFQQXDIYPZ-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.13
Rot. Bonds7

About 4-[4-(2-methylpropoxy)phenyl]butanoic acid

4-[4-(2-methylpropoxy)phenyl]butanoic acid (PubChem CID 82050407) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-[4-(2-methylpropoxy)phenyl]butanoic acid.

Molecular Properties

Compound Name4-[4-(2-methylpropoxy)phenyl]butanoic acid
PubChem CID82050407
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name4-[4-(2-methylpropoxy)phenyl]butanoic acid
SMILESCC(C)COc1ccc(CCCC(=O)O)cc1
InChIInChI=1S/C14H20O3/c1-11(2)10-17-13-8-6-12(7-9-13)4-3-5-14(15)16/h6-9,11H,3-5,10H2,1-2H3,(H,15,16)
InChIKeyVEZUXFQQXDIYPZ-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

5-[4-[[4-(2-methylpropyl)phenyl]methoxy]phenyl]pentanoic acid
CID 139921983
3-[4-(2-methylpropoxy)phenyl]propanehydrazide
CID 164513636
3-[4-(3-methylbutoxy)phenyl]propanoic acid
CID 167220539
3-[2-ethyl-4-(2-methylpropoxy)phenyl]propanoic acid
CID 82551979
7-[4-(2-methylpropyl)phenoxy]heptanoic acid
CID 59134606
4-[4-(2-methoxyethyl)phenoxy]butanoic acid
CID 43169586
1-(2-chloroethyl)-4-(2-methylpropoxy)benzene
CID 96658060
2-[4-(2-methylpropoxy)phenyl]ethanethiol
CID 95441132
7-(4-hexylphenoxy)heptanoic acid
CID 54502336
5-[2-methyl-4-(2-methylpropoxy)phenyl]-5-oxopentanoic acid
CID 82264546
3-[[4-(2-methylpropoxy)phenyl]methylamino]propanoic acid;2,2,2-trifluoroacetic acid
CID 23121063
4-[4-(oxiran-2-ylmethoxy)phenyl]butanoic acid
CID 175189091

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methylpropoxy)phenyl]butanoic acid?
The IUPAC name of 4-[4-(2-methylpropoxy)phenyl]butanoic acid (CID 82050407) is 4-[4-(2-methylpropoxy)phenyl]butanoic acid.
What is the SMILES notation for 4-[4-(2-methylpropoxy)phenyl]butanoic acid?
The canonical SMILES for 4-[4-(2-methylpropoxy)phenyl]butanoic acid is CC(C)COc1ccc(CCCC(=O)O)cc1.
What is the InChIKey of 4-[4-(2-methylpropoxy)phenyl]butanoic acid?
The InChIKey is VEZUXFQQXDIYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-11(2)10-17-13-8-6-12(7-9-13)4-3-5-14(15)16/h6-9,11H,3-5,10H2,1-2H3,(H,15,16).
What are the key properties of 4-[4-(2-methylpropoxy)phenyl]butanoic acid?
4-[4-(2-methylpropoxy)phenyl]butanoic 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 4-[4-(2-methylpropoxy)phenyl]butanoic acid is sourced from PubChem (CID 82050407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).