2-(3-ethyl-2-hydroxy-6-propan-2-ylphenyl)propanoic acid

C14H20O3 — CID 117345076

IUPAC2-(3-ethyl-2-hydroxy-6-propan-2-ylphenyl)propanoic acid
SMILESCCc1ccc(C(C)C)c(C(C)C(=O)O)c1O
InChIInChI=1S/C14H20O3/c1-5-10-6-7-11(8(2)3)12(13(10)15)9(4)14(16)17/h6-9,15H,5H2,1-4H3,(H,16,17)
InChIKeyFZNLSJPFGJICIM-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.27
Rot. Bonds4

About 2-(3-ethyl-2-hydroxy-6-propan-2-ylphenyl)propanoic acid

2-(3-ethyl-2-hydroxy-6-propan-2-ylphenyl)propanoic acid (PubChem CID 117345076) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(3-ethyl-2-hydroxy-6-propan-2-ylphenyl)propanoic acid.

Molecular Properties

Compound Name2-(3-ethyl-2-hydroxy-6-propan-2-ylphenyl)propanoic acid
PubChem CID117345076
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name2-(3-ethyl-2-hydroxy-6-propan-2-ylphenyl)propanoic acid
SMILESCCc1ccc(C(C)C)c(C(C)C(=O)O)c1O
InChIInChI=1S/C14H20O3/c1-5-10-6-7-11(8(2)3)12(13(10)15)9(4)14(16)17/h6-9,15H,5H2,1-4H3,(H,16,17)
InChIKeyFZNLSJPFGJICIM-UHFFFAOYSA-N
XLogP3.27
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-aminobutan-2-yl)-6-ethyl-3-propan-2-ylphenol
CID 117343732
3-(3-ethyl-2-hydroxy-6-propan-2-ylphenyl)-3-methylbutanoic acid
CID 117415665
6-ethyl-3-methyl-2-propan-2-ylphenol
CID 89393245
2-(2-ethyl-5-propan-2-ylphenyl)propanoic acid
CID 117314723
2-(2-amino-2-methylpropyl)-6-ethyl-3-propan-2-ylphenol
CID 117343674
2-(2,6-difluoro-3-propan-2-ylphenyl)propanoic acid
CID 117328561
2-(3-aminopropyl)-6-ethyl-3-propan-2-ylphenol
CID 117316995
1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)ethanol
CID 117318734
1-ethyl-2,3-dimethyl-4-propan-2-ylbenzene
CID 145053588
2-(2-propan-2-ylphenyl)propanoic acid
CID 66999361
2-(2-chloro-6-ethyl-4-methylphenyl)propanoic acid
CID 69441994
methyl 2-hydroxy-2-[2-hydroxy-3,6-di(propan-2-yl)phenyl]acetate
CID 117420065

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2-hydroxy-6-propan-2-ylphenyl)propanoic acid?
The IUPAC name of 2-(3-ethyl-2-hydroxy-6-propan-2-ylphenyl)propanoic acid (CID 117345076) is 2-(3-ethyl-2-hydroxy-6-propan-2-ylphenyl)propanoic acid.
What is the SMILES notation for 2-(3-ethyl-2-hydroxy-6-propan-2-ylphenyl)propanoic acid?
The canonical SMILES for 2-(3-ethyl-2-hydroxy-6-propan-2-ylphenyl)propanoic acid is CCc1ccc(C(C)C)c(C(C)C(=O)O)c1O.
What is the InChIKey of 2-(3-ethyl-2-hydroxy-6-propan-2-ylphenyl)propanoic acid?
The InChIKey is FZNLSJPFGJICIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-5-10-6-7-11(8(2)3)12(13(10)15)9(4)14(16)17/h6-9,15H,5H2,1-4H3,(H,16,17).
What are the key properties of 2-(3-ethyl-2-hydroxy-6-propan-2-ylphenyl)propanoic acid?
2-(3-ethyl-2-hydroxy-6-propan-2-ylphenyl)propanoic acid has a molecular weight of 236.31 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2-hydroxy-6-propan-2-ylphenyl)propanoic acid is sourced from PubChem (CID 117345076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).