4-(2-propan-2-ylphenyl)butanoic acid

C13H18O2 — CID 58591852

IUPAC4-(2-propan-2-ylphenyl)butanoic acid
SMILESCC(C)c1ccccc1CCCC(=O)O
InChIInChI=1S/C13H18O2/c1-10(2)12-8-4-3-6-11(12)7-5-9-13(14)15/h3-4,6,8,10H,5,7,9H2,1-2H3,(H,14,15)
InChIKeyHFVPTVKYDOFORL-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.22
Rot. Bonds5

About 4-(2-propan-2-ylphenyl)butanoic acid

4-(2-propan-2-ylphenyl)butanoic acid (PubChem CID 58591852) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 4-(2-propan-2-ylphenyl)butanoic acid.

Molecular Properties

Compound Name4-(2-propan-2-ylphenyl)butanoic acid
PubChem CID58591852
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name4-(2-propan-2-ylphenyl)butanoic acid
SMILESCC(C)c1ccccc1CCCC(=O)O
InChIInChI=1S/C13H18O2/c1-10(2)12-8-4-3-6-11(12)7-5-9-13(14)15/h3-4,6,8,10H,5,7,9H2,1-2H3,(H,14,15)
InChIKeyHFVPTVKYDOFORL-UHFFFAOYSA-N
XLogP3.22
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-propan-2-ylphenyl)acetic acid;hydrochloride
CID 70396456
4-[2-(1,2-dimethoxyethyl)phenyl]butanoic acid
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4-(2-propan-2-ylphenyl)butan-1-ol
CID 54569508
4-(5-ethyl-2-propan-2-ylphenyl)butanoic acid
CID 117340908
2-[2-(2-carboxyethyl)phenyl]propanoic acid
CID 18790695
2-[2-(4-carboxybutyl)phenyl]pentanoic acid
CID 139936646
1,3-bis(2-propan-2-ylphenyl)propan-2-one
CID 21115419
5-[2-(1-aminoethyl)phenyl]pentan-2-one
CID 123707343
5-[2-(8-phenyloctyl)phenyl]nonanedioic acid
CID 57285894
1-pentadecyl-2-propan-2-ylbenzene;sulfane
CID 174904763
4-[2-(3-methoxy-3-oxopropyl)phenyl]butanoic acid
CID 18944108
ethane;4-[2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid
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Frequently Asked Questions

What is the IUPAC name of 4-(2-propan-2-ylphenyl)butanoic acid?
The IUPAC name of 4-(2-propan-2-ylphenyl)butanoic acid (CID 58591852) is 4-(2-propan-2-ylphenyl)butanoic acid.
What is the SMILES notation for 4-(2-propan-2-ylphenyl)butanoic acid?
The canonical SMILES for 4-(2-propan-2-ylphenyl)butanoic acid is CC(C)c1ccccc1CCCC(=O)O.
What is the InChIKey of 4-(2-propan-2-ylphenyl)butanoic acid?
The InChIKey is HFVPTVKYDOFORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-10(2)12-8-4-3-6-11(12)7-5-9-13(14)15/h3-4,6,8,10H,5,7,9H2,1-2H3,(H,14,15).
What are the key properties of 4-(2-propan-2-ylphenyl)butanoic acid?
4-(2-propan-2-ylphenyl)butanoic acid has a molecular weight of 206.28 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-propan-2-ylphenyl)butanoic acid is sourced from PubChem (CID 58591852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).