2-(4-chlorophenyl)acetic acid

C8H7ClO2 — CID 15880

IUPAC2-(4-chlorophenyl)acetic acid
SMILESO=C(O)Cc1ccc(Cl)cc1
InChIInChI=1S/C8H7ClO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11)
InChIKeyCDPKJZJVTHSESZ-UHFFFAOYSA-N
MW170.59 g/mol
LogP1.97
Rot. Bonds2

About 2-(4-chlorophenyl)acetic acid

2-(4-chlorophenyl)acetic acid (PubChem CID 15880) has the molecular formula C8H7ClO2 and a molecular weight of 170.59 g/mol. Its IUPAC name is 2-(4-chlorophenyl)acetic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)acetic acid
PubChem CID15880
Molecular FormulaC8H7ClO2
Molecular Weight170.59 g/mol
Exact Mass170.01
IUPAC Name2-(4-chlorophenyl)acetic acid
SMILESO=C(O)Cc1ccc(Cl)cc1
InChIInChI=1S/C8H7ClO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11)
InChIKeyCDPKJZJVTHSESZ-UHFFFAOYSA-N
XLogP1.97
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.59
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)acetic acid?
The IUPAC name of 2-(4-chlorophenyl)acetic acid (CID 15880) is 2-(4-chlorophenyl)acetic acid.
What is the SMILES notation for 2-(4-chlorophenyl)acetic acid?
The canonical SMILES for 2-(4-chlorophenyl)acetic acid is O=C(O)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)acetic acid?
The InChIKey is CDPKJZJVTHSESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11).
What are the key properties of 2-(4-chlorophenyl)acetic acid?
2-(4-chlorophenyl)acetic acid has a molecular weight of 170.59 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)acetic acid is sourced from PubChem (CID 15880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).