2-(2-ethyl-5-propan-2-ylphenyl)propanoic acid

C14H20O2 — CID 117314723

IUPAC2-(2-ethyl-5-propan-2-ylphenyl)propanoic acid
SMILESCCc1ccc(C(C)C)cc1C(C)C(=O)O
InChIInChI=1S/C14H20O2/c1-5-11-6-7-12(9(2)3)8-13(11)10(4)14(15)16/h6-10H,5H2,1-4H3,(H,15,16)
InChIKeyCCZJGMGZFZWKGA-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.56
Rot. Bonds4

About 2-(2-ethyl-5-propan-2-ylphenyl)propanoic acid

2-(2-ethyl-5-propan-2-ylphenyl)propanoic acid (PubChem CID 117314723) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2-(2-ethyl-5-propan-2-ylphenyl)propanoic acid.

Molecular Properties

Compound Name2-(2-ethyl-5-propan-2-ylphenyl)propanoic acid
PubChem CID117314723
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name2-(2-ethyl-5-propan-2-ylphenyl)propanoic acid
SMILESCCc1ccc(C(C)C)cc1C(C)C(=O)O
InChIInChI=1S/C14H20O2/c1-5-11-6-7-12(9(2)3)8-13(11)10(4)14(15)16/h6-10H,5H2,1-4H3,(H,15,16)
InChIKeyCCZJGMGZFZWKGA-UHFFFAOYSA-N
XLogP3.56
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-fluoro-5-propan-2-ylphenyl)propanoic acid
CID 117300317
2-(2-methyl-4-propan-2-ylphenyl)propanoic acid
CID 175234713
2-ethyl-5-propan-2-ylphenol
CID 45096246
2-[2,5-di(propan-2-yl)phenyl]-2-hydroxyacetic acid
CID 117345122
1-ethyl-2,4-bis(1-phenylethyl)benzene
CID 3019817
2-[2-(bromomethyl)-5-chlorophenyl]propanoic acid
CID 25169539
2-(3-ethyl-2-hydroxy-6-propan-2-ylphenyl)propanoic acid
CID 117345076
2-[4-(1-carboxyethyl)phenyl]propanoic acid
CID 601009
1-ethyl-2-ethylsulfanyl-4-propan-2-ylbenzene
CID 166781432
2-[5-(difluoromethyl)-2-methylphenyl]propanoic acid
CID 117305155
2-hydroxy-2-(2-hydroxy-5-propan-2-ylphenyl)acetic acid
CID 117300056
2-ethyl-5-propan-2-ylbenzaldehyde
CID 105436611

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-5-propan-2-ylphenyl)propanoic acid?
The IUPAC name of 2-(2-ethyl-5-propan-2-ylphenyl)propanoic acid (CID 117314723) is 2-(2-ethyl-5-propan-2-ylphenyl)propanoic acid.
What is the SMILES notation for 2-(2-ethyl-5-propan-2-ylphenyl)propanoic acid?
The canonical SMILES for 2-(2-ethyl-5-propan-2-ylphenyl)propanoic acid is CCc1ccc(C(C)C)cc1C(C)C(=O)O.
What is the InChIKey of 2-(2-ethyl-5-propan-2-ylphenyl)propanoic acid?
The InChIKey is CCZJGMGZFZWKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-5-11-6-7-12(9(2)3)8-13(11)10(4)14(15)16/h6-10H,5H2,1-4H3,(H,15,16).
What are the key properties of 2-(2-ethyl-5-propan-2-ylphenyl)propanoic acid?
2-(2-ethyl-5-propan-2-ylphenyl)propanoic acid has a molecular weight of 220.31 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-5-propan-2-ylphenyl)propanoic acid is sourced from PubChem (CID 117314723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).