2-(4-chloro-2-methylphenoxy)acetic acid

C9H9ClO3 — CID 7204

IUPAC2-(4-chloro-2-methylphenoxy)acetic acid
SMILESCc1cc(Cl)ccc1OCC(=O)O
InChIInChI=1S/C9H9ClO3/c1-6-4-7(10)2-3-8(6)13-5-9(11)12/h2-4H,5H2,1H3,(H,11,12)
InChIKeyWHKUVVPPKQRRBV-UHFFFAOYSA-N
MW200.62 g/mol
LogP2.11
Rot. Bonds3

About 2-(4-chloro-2-methylphenoxy)acetic acid

2-(4-chloro-2-methylphenoxy)acetic acid (PubChem CID 7204) has the molecular formula C9H9ClO3 and a molecular weight of 200.62 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)acetic acid.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)acetic acid
PubChem CID7204
Molecular FormulaC9H9ClO3
Molecular Weight200.62 g/mol
Exact Mass200.02
IUPAC Name2-(4-chloro-2-methylphenoxy)acetic acid
SMILESCc1cc(Cl)ccc1OCC(=O)O
InChIInChI=1S/C9H9ClO3/c1-6-4-7(10)2-3-8(6)13-5-9(11)12/h2-4H,5H2,1H3,(H,11,12)
InChIKeyWHKUVVPPKQRRBV-UHFFFAOYSA-N
XLogP2.11
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.62
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)acetic acid?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)acetic acid (CID 7204) is 2-(4-chloro-2-methylphenoxy)acetic acid.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)acetic acid?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)acetic acid is Cc1cc(Cl)ccc1OCC(=O)O.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)acetic acid?
The InChIKey is WHKUVVPPKQRRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO3/c1-6-4-7(10)2-3-8(6)13-5-9(11)12/h2-4H,5H2,1H3,(H,11,12).
What are the key properties of 2-(4-chloro-2-methylphenoxy)acetic acid?
2-(4-chloro-2-methylphenoxy)acetic acid has a molecular weight of 200.62 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)acetic acid is sourced from PubChem (CID 7204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).