4-(2-hydroxy-5-propan-2-ylphenyl)butanoic acid

C13H18O3 — CID 83890595

IUPAC4-(2-hydroxy-5-propan-2-ylphenyl)butanoic acid
SMILESCC(C)c1ccc(O)c(CCCC(=O)O)c1
InChIInChI=1S/C13H18O3/c1-9(2)10-6-7-12(14)11(8-10)4-3-5-13(15)16/h6-9,14H,3-5H2,1-2H3,(H,15,16)
InChIKeyYIHVTROSMRHYIK-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.92
Rot. Bonds5

About 4-(2-hydroxy-5-propan-2-ylphenyl)butanoic acid

4-(2-hydroxy-5-propan-2-ylphenyl)butanoic acid (PubChem CID 83890595) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 4-(2-hydroxy-5-propan-2-ylphenyl)butanoic acid.

Molecular Properties

Compound Name4-(2-hydroxy-5-propan-2-ylphenyl)butanoic acid
PubChem CID83890595
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name4-(2-hydroxy-5-propan-2-ylphenyl)butanoic acid
SMILESCC(C)c1ccc(O)c(CCCC(=O)O)c1
InChIInChI=1S/C13H18O3/c1-9(2)10-6-7-12(14)11(8-10)4-3-5-13(15)16/h6-9,14H,3-5H2,1-2H3,(H,15,16)
InChIKeyYIHVTROSMRHYIK-UHFFFAOYSA-N
XLogP2.92
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-6-(2-hydroxy-5-propan-2-ylphenyl)hex-4-enoic acid
CID 149233586
2-[(E)-3-methylpent-3-enyl]-4-propan-2-ylphenol
CID 102455260
4-(3-bromo-2-fluoro-5-propan-2-ylphenyl)butanoic acid
CID 117488099
6-(2,5-dihydroxyphenyl)hexanoic acid
CID 54544724
4-(2-propan-2-ylphenyl)butanoic acid
CID 58591852
5-amino-5-(4-propan-2-ylphenyl)pentanoic acid
CID 54908179
4-(5-chlorosulfonyl-2-hydroxyphenyl)butanoic acid
CID 90912527
2-ethyl-5-propan-2-ylphenol
CID 45096246
8-[(2-hydroxy-4-propan-2-ylbenzoyl)amino]octanoic acid
CID 44538835
2-hydroxy-5-propan-2-ylbenzoic acid
CID 12540049
4-[(2-methoxy-5-propan-2-ylphenyl)methylamino]butanoic acid
CID 115218601
4-(5-ethyl-2-propan-2-ylphenyl)butanoic acid
CID 117340908

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxy-5-propan-2-ylphenyl)butanoic acid?
The IUPAC name of 4-(2-hydroxy-5-propan-2-ylphenyl)butanoic acid (CID 83890595) is 4-(2-hydroxy-5-propan-2-ylphenyl)butanoic acid.
What is the SMILES notation for 4-(2-hydroxy-5-propan-2-ylphenyl)butanoic acid?
The canonical SMILES for 4-(2-hydroxy-5-propan-2-ylphenyl)butanoic acid is CC(C)c1ccc(O)c(CCCC(=O)O)c1.
What is the InChIKey of 4-(2-hydroxy-5-propan-2-ylphenyl)butanoic acid?
The InChIKey is YIHVTROSMRHYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-9(2)10-6-7-12(14)11(8-10)4-3-5-13(15)16/h6-9,14H,3-5H2,1-2H3,(H,15,16).
What are the key properties of 4-(2-hydroxy-5-propan-2-ylphenyl)butanoic acid?
4-(2-hydroxy-5-propan-2-ylphenyl)butanoic acid has a molecular weight of 222.28 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxy-5-propan-2-ylphenyl)butanoic acid is sourced from PubChem (CID 83890595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).