2-(4-acetyl-2-chlorophenyl)acetic acid

C10H9ClO3 — CID 23106770

IUPAC2-(4-acetyl-2-chlorophenyl)acetic acid
SMILESCC(=O)c1ccc(CC(=O)O)c(Cl)c1
InChIInChI=1S/C10H9ClO3/c1-6(12)7-2-3-8(5-10(13)14)9(11)4-7/h2-4H,5H2,1H3,(H,13,14)
InChIKeyCRYXIMMBNGBNQT-UHFFFAOYSA-N
MW212.63 g/mol
LogP2.17
Rot. Bonds3

About 2-(4-acetyl-2-chlorophenyl)acetic acid

2-(4-acetyl-2-chlorophenyl)acetic acid (PubChem CID 23106770) has the molecular formula C10H9ClO3 and a molecular weight of 212.63 g/mol. Its IUPAC name is 2-(4-acetyl-2-chlorophenyl)acetic acid.

Molecular Properties

Compound Name2-(4-acetyl-2-chlorophenyl)acetic acid
PubChem CID23106770
Molecular FormulaC10H9ClO3
Molecular Weight212.63 g/mol
Exact Mass212.02
IUPAC Name2-(4-acetyl-2-chlorophenyl)acetic acid
SMILESCC(=O)c1ccc(CC(=O)O)c(Cl)c1
InChIInChI=1S/C10H9ClO3/c1-6(12)7-2-3-8(5-10(13)14)9(11)4-7/h2-4H,5H2,1H3,(H,13,14)
InChIKeyCRYXIMMBNGBNQT-UHFFFAOYSA-N
XLogP2.17
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.63
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-chloro-4-(2,2-dimethylpropanoyl)phenyl]acetic acid
CID 54332575
2-(4-acetyl-2-aminophenyl)acetic acid
CID 23106782
2-(4-acetyl-2-chlorophenoxy)acetic acid
CID 13400547
1-(7-chloro-6-ethylnaphthalen-2-yl)ethanone
CID 123412123
2-(5-acetyl-2-methoxyphenyl)acetic acid
CID 2535148
2-[2-chloro-4-(1,1-difluoroethyl)phenyl]acetic acid
CID 84698117
1-(4-chloro-3-methylphenyl)ethanone;ethane
CID 143383173
3-chloro-4-(ethylaminomethyl)benzoic acid
CID 117219883
N-[(5-acetyl-2-chlorophenyl)methyl]acetamide
CID 11858678
N-[(5-acetyl-2-chlorophenyl)methyl]-N-methylacetamide
CID 66789788
4-butyl-3-chlorobenzoic acid
CID 90111981
1-(3-chloro-5-ethyl-4-fluorophenyl)ethanone
CID 117289595

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-2-chlorophenyl)acetic acid?
The IUPAC name of 2-(4-acetyl-2-chlorophenyl)acetic acid (CID 23106770) is 2-(4-acetyl-2-chlorophenyl)acetic acid.
What is the SMILES notation for 2-(4-acetyl-2-chlorophenyl)acetic acid?
The canonical SMILES for 2-(4-acetyl-2-chlorophenyl)acetic acid is CC(=O)c1ccc(CC(=O)O)c(Cl)c1.
What is the InChIKey of 2-(4-acetyl-2-chlorophenyl)acetic acid?
The InChIKey is CRYXIMMBNGBNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClO3/c1-6(12)7-2-3-8(5-10(13)14)9(11)4-7/h2-4H,5H2,1H3,(H,13,14).
What are the key properties of 2-(4-acetyl-2-chlorophenyl)acetic acid?
2-(4-acetyl-2-chlorophenyl)acetic acid has a molecular weight of 212.63 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-2-chlorophenyl)acetic acid is sourced from PubChem (CID 23106770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).