2-(4-hydroxy-2-propylphenyl)butanoic acid

C13H18O3 — CID 142096449

IUPAC2-(4-hydroxy-2-propylphenyl)butanoic acid
SMILESCCCc1cc(O)ccc1C(CC)C(=O)O
InChIInChI=1S/C13H18O3/c1-3-5-9-8-10(14)6-7-12(9)11(4-2)13(15)16/h6-8,11,14H,3-5H2,1-2H3,(H,15,16)
InChIKeyLLCVZYANGADDFC-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.92
Rot. Bonds5

About 2-(4-hydroxy-2-propylphenyl)butanoic acid

2-(4-hydroxy-2-propylphenyl)butanoic acid (PubChem CID 142096449) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 2-(4-hydroxy-2-propylphenyl)butanoic acid.

Molecular Properties

Compound Name2-(4-hydroxy-2-propylphenyl)butanoic acid
PubChem CID142096449
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name2-(4-hydroxy-2-propylphenyl)butanoic acid
SMILESCCCc1cc(O)ccc1C(CC)C(=O)O
InChIInChI=1S/C13H18O3/c1-3-5-9-8-10(14)6-7-12(9)11(4-2)13(15)16/h6-8,11,14H,3-5H2,1-2H3,(H,15,16)
InChIKeyLLCVZYANGADDFC-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

2,2-bis(2-butyl-4-hydroxyphenyl)acetic acid
CID 172846961
5-hydroxy-2-propylbenzoic acid
CID 23105136
4-hydroxy-2-methylbenzoic acid;4-hydroxy-2-propylbenzoic acid
CID 70586681
(2S)-2-[3-[(4-hydroxyphenyl)sulfonylamino]naphthalen-2-yl]butanoic acid
CID 142102667
2-(2,3-dihydroxyphenyl)butanoic acid
CID 19428811
sodium;4-hydroxy-2-propylbenzoate;trihydrate
CID 67564094
2-(3-propylphenyl)butanoic acid
CID 116545486
2-(5-chloro-2-propan-2-ylphenyl)butanoic acid
CID 84800690
ethyl 4-hydroxy-2-propylbenzoate
CID 66937592
phenyl 4-hydroxy-2-propylbenzoate
CID 70366089
2-(4-chloro-3-hydroxy-2,5-dimethylphenyl)butanoic acid
CID 84801805
2-(1-carboxyheptyl)-4-hydroxybenzoic acid
CID 139776346

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-2-propylphenyl)butanoic acid?
The IUPAC name of 2-(4-hydroxy-2-propylphenyl)butanoic acid (CID 142096449) is 2-(4-hydroxy-2-propylphenyl)butanoic acid.
What is the SMILES notation for 2-(4-hydroxy-2-propylphenyl)butanoic acid?
The canonical SMILES for 2-(4-hydroxy-2-propylphenyl)butanoic acid is CCCc1cc(O)ccc1C(CC)C(=O)O.
What is the InChIKey of 2-(4-hydroxy-2-propylphenyl)butanoic acid?
The InChIKey is LLCVZYANGADDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-3-5-9-8-10(14)6-7-12(9)11(4-2)13(15)16/h6-8,11,14H,3-5H2,1-2H3,(H,15,16).
What are the key properties of 2-(4-hydroxy-2-propylphenyl)butanoic acid?
2-(4-hydroxy-2-propylphenyl)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 2-(4-hydroxy-2-propylphenyl)butanoic acid is sourced from PubChem (CID 142096449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).