2-(3-chloro-4-propan-2-ylphenyl)propanoic acid

C12H15ClO2 — CID 84791168

IUPAC2-(3-chloro-4-propan-2-ylphenyl)propanoic acid
SMILESCC(C)c1ccc(C(C)C(=O)O)cc1Cl
InChIInChI=1S/C12H15ClO2/c1-7(2)10-5-4-9(6-11(10)13)8(3)12(14)15/h4-8H,1-3H3,(H,14,15)
InChIKeyDUOCGHPBLCJHIR-UHFFFAOYSA-N
MW226.70 g/mol
LogP3.65
Rot. Bonds3

About 2-(3-chloro-4-propan-2-ylphenyl)propanoic acid

2-(3-chloro-4-propan-2-ylphenyl)propanoic acid (PubChem CID 84791168) has the molecular formula C12H15ClO2 and a molecular weight of 226.70 g/mol. Its IUPAC name is 2-(3-chloro-4-propan-2-ylphenyl)propanoic acid.

Molecular Properties

Compound Name2-(3-chloro-4-propan-2-ylphenyl)propanoic acid
PubChem CID84791168
Molecular FormulaC12H15ClO2
Molecular Weight226.70 g/mol
Exact Mass226.08
IUPAC Name2-(3-chloro-4-propan-2-ylphenyl)propanoic acid
SMILESCC(C)c1ccc(C(C)C(=O)O)cc1Cl
InChIInChI=1S/C12H15ClO2/c1-7(2)10-5-4-9(6-11(10)13)8(3)12(14)15/h4-8H,1-3H3,(H,14,15)
InChIKeyDUOCGHPBLCJHIR-UHFFFAOYSA-N
XLogP3.65
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.70
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2-[3-chloro-4-(2,4-difluorophenyl)phenyl]propanoic acid
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2-(3,4-dihydroxyphenyl)propanoic acid
CID 20848968
1-chloro-4-propan-2-ylbenzene;2,4-dichloro-1-propan-2-ylbenzene
CID 158524706
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2-(4-bromo-3-chloro-5-fluorophenyl)propanoic acid
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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-propan-2-ylphenyl)propanoic acid?
The IUPAC name of 2-(3-chloro-4-propan-2-ylphenyl)propanoic acid (CID 84791168) is 2-(3-chloro-4-propan-2-ylphenyl)propanoic acid.
What is the SMILES notation for 2-(3-chloro-4-propan-2-ylphenyl)propanoic acid?
The canonical SMILES for 2-(3-chloro-4-propan-2-ylphenyl)propanoic acid is CC(C)c1ccc(C(C)C(=O)O)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-propan-2-ylphenyl)propanoic acid?
The InChIKey is DUOCGHPBLCJHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO2/c1-7(2)10-5-4-9(6-11(10)13)8(3)12(14)15/h4-8H,1-3H3,(H,14,15).
What are the key properties of 2-(3-chloro-4-propan-2-ylphenyl)propanoic acid?
2-(3-chloro-4-propan-2-ylphenyl)propanoic acid has a molecular weight of 226.70 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-propan-2-ylphenyl)propanoic acid is sourced from PubChem (CID 84791168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).