2-(3,5-dichlorophenyl)acetic acid

C8H6Cl2O2 — CID 6452487

IUPAC2-(3,5-dichlorophenyl)acetic acid
SMILESO=C(O)Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C8H6Cl2O2/c9-6-1-5(3-8(11)12)2-7(10)4-6/h1-2,4H,3H2,(H,11,12)
InChIKeyRERINLRFXYGZEE-UHFFFAOYSA-N
MW205.04 g/mol
LogP2.62
Rot. Bonds2

About 2-(3,5-dichlorophenyl)acetic acid

2-(3,5-dichlorophenyl)acetic acid (PubChem CID 6452487) has the molecular formula C8H6Cl2O2 and a molecular weight of 205.04 g/mol. Its IUPAC name is 2-(3,5-dichlorophenyl)acetic acid.

Molecular Properties

Compound Name2-(3,5-dichlorophenyl)acetic acid
PubChem CID6452487
Molecular FormulaC8H6Cl2O2
Molecular Weight205.04 g/mol
Exact Mass203.97
IUPAC Name2-(3,5-dichlorophenyl)acetic acid
SMILESO=C(O)Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C8H6Cl2O2/c9-6-1-5(3-8(11)12)2-7(10)4-6/h1-2,4H,3H2,(H,11,12)
InChIKeyRERINLRFXYGZEE-UHFFFAOYSA-N
XLogP2.62
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.04
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenyl)acetic acid?
The IUPAC name of 2-(3,5-dichlorophenyl)acetic acid (CID 6452487) is 2-(3,5-dichlorophenyl)acetic acid.
What is the SMILES notation for 2-(3,5-dichlorophenyl)acetic acid?
The canonical SMILES for 2-(3,5-dichlorophenyl)acetic acid is O=C(O)Cc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-(3,5-dichlorophenyl)acetic acid?
The InChIKey is RERINLRFXYGZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2O2/c9-6-1-5(3-8(11)12)2-7(10)4-6/h1-2,4H,3H2,(H,11,12).
What are the key properties of 2-(3,5-dichlorophenyl)acetic acid?
2-(3,5-dichlorophenyl)acetic acid has a molecular weight of 205.04 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenyl)acetic acid is sourced from PubChem (CID 6452487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).