2-(2-chloro-3-propanoylphenyl)acetic acid

C11H11ClO3 — CID 10398812

IUPAC2-(2-chloro-3-propanoylphenyl)acetic acid
SMILESCCC(=O)c1cccc(CC(=O)O)c1Cl
InChIInChI=1S/C11H11ClO3/c1-2-9(13)8-5-3-4-7(11(8)12)6-10(14)15/h3-5H,2,6H2,1H3,(H,14,15)
InChIKeyVYNWQRJLEFFYJW-UHFFFAOYSA-N
MW226.66 g/mol
LogP2.56
Rot. Bonds4

About 2-(2-chloro-3-propanoylphenyl)acetic acid

2-(2-chloro-3-propanoylphenyl)acetic acid (PubChem CID 10398812) has the molecular formula C11H11ClO3 and a molecular weight of 226.66 g/mol. Its IUPAC name is 2-(2-chloro-3-propanoylphenyl)acetic acid.

Molecular Properties

Compound Name2-(2-chloro-3-propanoylphenyl)acetic acid
PubChem CID10398812
Molecular FormulaC11H11ClO3
Molecular Weight226.66 g/mol
Exact Mass226.04
IUPAC Name2-(2-chloro-3-propanoylphenyl)acetic acid
SMILESCCC(=O)c1cccc(CC(=O)O)c1Cl
InChIInChI=1S/C11H11ClO3/c1-2-9(13)8-5-3-4-7(11(8)12)6-10(14)15/h3-5H,2,6H2,1H3,(H,14,15)
InChIKeyVYNWQRJLEFFYJW-UHFFFAOYSA-N
XLogP2.56
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-propanoylphenyl)acetic acid?
The IUPAC name of 2-(2-chloro-3-propanoylphenyl)acetic acid (CID 10398812) is 2-(2-chloro-3-propanoylphenyl)acetic acid.
What is the SMILES notation for 2-(2-chloro-3-propanoylphenyl)acetic acid?
The canonical SMILES for 2-(2-chloro-3-propanoylphenyl)acetic acid is CCC(=O)c1cccc(CC(=O)O)c1Cl.
What is the InChIKey of 2-(2-chloro-3-propanoylphenyl)acetic acid?
The InChIKey is VYNWQRJLEFFYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO3/c1-2-9(13)8-5-3-4-7(11(8)12)6-10(14)15/h3-5H,2,6H2,1H3,(H,14,15).
What are the key properties of 2-(2-chloro-3-propanoylphenyl)acetic acid?
2-(2-chloro-3-propanoylphenyl)acetic acid has a molecular weight of 226.66 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-propanoylphenyl)acetic acid is sourced from PubChem (CID 10398812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).