2-(4-chloro-3-methoxy-2-methylphenoxy)acetic acid

C10H11ClO4 — CID 84693979

IUPAC2-(4-chloro-3-methoxy-2-methylphenoxy)acetic acid
SMILESCOc1c(Cl)ccc(OCC(=O)O)c1C
InChIInChI=1S/C10H11ClO4/c1-6-8(15-5-9(12)13)4-3-7(11)10(6)14-2/h3-4H,5H2,1-2H3,(H,12,13)
InChIKeyLJZYCQCBCJRDKU-UHFFFAOYSA-N
MW230.65 g/mol
LogP2.12
Rot. Bonds4

About 2-(4-chloro-3-methoxy-2-methylphenoxy)acetic acid

2-(4-chloro-3-methoxy-2-methylphenoxy)acetic acid (PubChem CID 84693979) has the molecular formula C10H11ClO4 and a molecular weight of 230.65 g/mol. Its IUPAC name is 2-(4-chloro-3-methoxy-2-methylphenoxy)acetic acid.

Molecular Properties

Compound Name2-(4-chloro-3-methoxy-2-methylphenoxy)acetic acid
PubChem CID84693979
Molecular FormulaC10H11ClO4
Molecular Weight230.65 g/mol
Exact Mass230.03
IUPAC Name2-(4-chloro-3-methoxy-2-methylphenoxy)acetic acid
SMILESCOc1c(Cl)ccc(OCC(=O)O)c1C
InChIInChI=1S/C10H11ClO4/c1-6-8(15-5-9(12)13)4-3-7(11)10(6)14-2/h3-4H,5H2,1-2H3,(H,12,13)
InChIKeyLJZYCQCBCJRDKU-UHFFFAOYSA-N
XLogP2.12
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.65
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dimethyl-4-propanoylphenoxy)acetic acid
CID 53318156
2-(2-methoxy-3,5-dimethylphenoxy)acetic acid
CID 84677573
2-[4-chloro-3-(2-ethylhexyl)-2-methylphenoxy]acetic acid
CID 67633723
sodium 2-(2,4-dichlorophenoxy)acetic acid
CID 91996937
tris(2-(2,4-dichlorophenoxy)acetic acid);samarium
CID 164580360
2-[(3,6-dichloro-2-methoxybenzoyl)amino]oxyacetic acid
CID 14097342
2-(4-acetyl-2-chlorophenoxy)acetic acid
CID 13400547
2-(4-acetyl-3-hydroxy-2-methylphenoxy)acetic acid
CID 21287011
calcium;2-(2,4-dichlorophenoxy)acetic acid;hydride
CID 173483555
2-(3-ethyl-2-methylphenoxy)acetic acid
CID 165357581
prop-2-enoic acid;2-(2,3,4-trichlorophenoxy)acetic acid
CID 161126130
2-(2-amino-4-chloro-5-methoxyphenoxy)acetic acid
CID 18543387

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methoxy-2-methylphenoxy)acetic acid?
The IUPAC name of 2-(4-chloro-3-methoxy-2-methylphenoxy)acetic acid (CID 84693979) is 2-(4-chloro-3-methoxy-2-methylphenoxy)acetic acid.
What is the SMILES notation for 2-(4-chloro-3-methoxy-2-methylphenoxy)acetic acid?
The canonical SMILES for 2-(4-chloro-3-methoxy-2-methylphenoxy)acetic acid is COc1c(Cl)ccc(OCC(=O)O)c1C.
What is the InChIKey of 2-(4-chloro-3-methoxy-2-methylphenoxy)acetic acid?
The InChIKey is LJZYCQCBCJRDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO4/c1-6-8(15-5-9(12)13)4-3-7(11)10(6)14-2/h3-4H,5H2,1-2H3,(H,12,13).
What are the key properties of 2-(4-chloro-3-methoxy-2-methylphenoxy)acetic acid?
2-(4-chloro-3-methoxy-2-methylphenoxy)acetic acid has a molecular weight of 230.65 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methoxy-2-methylphenoxy)acetic acid is sourced from PubChem (CID 84693979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).