2-(5-chlorooxy-2-methylphenoxy)acetic acid

C9H9ClO4 — CID 159849914

IUPAC2-(5-chlorooxy-2-methylphenoxy)acetic acid
SMILESCc1ccc(OCl)cc1OCC(=O)O
InChIInChI=1S/C9H9ClO4/c1-6-2-3-7(14-10)4-8(6)13-5-9(11)12/h2-4H,5H2,1H3,(H,11,12)
InChIKeyNPUJTPKMSHGUAX-UHFFFAOYSA-N
MW216.62 g/mol
LogP1.99
Rot. Bonds4

About 2-(5-chlorooxy-2-methylphenoxy)acetic acid

2-(5-chlorooxy-2-methylphenoxy)acetic acid (PubChem CID 159849914) has the molecular formula C9H9ClO4 and a molecular weight of 216.62 g/mol. Its IUPAC name is 2-(5-chlorooxy-2-methylphenoxy)acetic acid.

Molecular Properties

Compound Name2-(5-chlorooxy-2-methylphenoxy)acetic acid
PubChem CID159849914
Molecular FormulaC9H9ClO4
Molecular Weight216.62 g/mol
Exact Mass216.02
IUPAC Name2-(5-chlorooxy-2-methylphenoxy)acetic acid
SMILESCc1ccc(OCl)cc1OCC(=O)O
InChIInChI=1S/C9H9ClO4/c1-6-2-3-7(14-10)4-8(6)13-5-9(11)12/h2-4H,5H2,1H3,(H,11,12)
InChIKeyNPUJTPKMSHGUAX-UHFFFAOYSA-N
XLogP1.99
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.62
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluoro-5-methoxyphenoxy)acetic acid
CID 84669223
2-[4-[[2-(2,5-dimethylphenoxy)acetyl]amino]-3-methylphenoxy]acetic acid
CID 119231516
ethane;2-(3-fluoro-4-methylphenoxy)acetic acid
CID 155714293
2-[5-methoxy-2-(trifluoromethyl)phenoxy]acetic acid
CID 142685473
2-[4-(5-chloro-2-methylphenyl)phenoxy]acetic acid
CID 82039313
2-(5-methoxy-2-nitrophenoxy)acetic acid
CID 91683018
2-[2-(carboxymethoxy)phenoxy]acetic acid;hydrate
CID 121199307
2-(5-chloro-2-methylphenoxy)acetamide
CID 65439903
2-[[10,13,20,23,30-pentakis(carboxymethoxy)-3-heptacyclo[25.3.1.12,6.17,11.112,16.117,21.122,26]hexatriaconta-1(30),2,4,6(36),7(35),8,10,12,14,16(34),17(33),18,20,22,24,26(32),27(31),28-octadecaenyl]oxy]acetic acid
CID 122375975
2-(2-acetyl-5-chlorophenoxy)acetic acid
CID 963906
2-[3-[[[2-(2,5-dimethylphenoxy)acetyl]amino]methyl]phenoxy]acetic acid
CID 119246591
2-[4-[(E)-3-[4-[(E)-3-[4-(carboxymethoxy)-3-methylphenoxy]prop-1-enyl]phenyl]prop-2-enoxy]-2-methylphenoxy]acetic acid
CID 89362807

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorooxy-2-methylphenoxy)acetic acid?
The IUPAC name of 2-(5-chlorooxy-2-methylphenoxy)acetic acid (CID 159849914) is 2-(5-chlorooxy-2-methylphenoxy)acetic acid.
What is the SMILES notation for 2-(5-chlorooxy-2-methylphenoxy)acetic acid?
The canonical SMILES for 2-(5-chlorooxy-2-methylphenoxy)acetic acid is Cc1ccc(OCl)cc1OCC(=O)O.
What is the InChIKey of 2-(5-chlorooxy-2-methylphenoxy)acetic acid?
The InChIKey is NPUJTPKMSHGUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO4/c1-6-2-3-7(14-10)4-8(6)13-5-9(11)12/h2-4H,5H2,1H3,(H,11,12).
What are the key properties of 2-(5-chlorooxy-2-methylphenoxy)acetic acid?
2-(5-chlorooxy-2-methylphenoxy)acetic acid has a molecular weight of 216.62 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorooxy-2-methylphenoxy)acetic acid is sourced from PubChem (CID 159849914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).