2-(2-Methoxyphenoxy)acetic acid

C9H10O4 — CID 15882

IUPAC2-(2-methoxyphenoxy)acetic acid
SMILESCOC1=CC=CC=C1OCC(=O)O
InChIInChI=1S/C9H10O4/c1-12-7-4-2-3-5-8(7)13-6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
InChIKeyIHONYPFTXGQWAX-UHFFFAOYSA-N
MW182.17 g/mol
LogP1.00
Rot. Bonds4

About 2-(2-Methoxyphenoxy)acetic acid

2-(2-Methoxyphenoxy)acetic acid (PubChem CID 15882) has the molecular formula C9H10O4 and a molecular weight of 182.17 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)acetic acid.

Molecular Properties

Compound Name2-(2-Methoxyphenoxy)acetic acid
PubChem CID15882
Molecular FormulaC9H10O4
Molecular Weight182.17 g/mol
Exact Mass182.06
IUPAC Name2-(2-methoxyphenoxy)acetic acid
SMILESCOC1=CC=CC=C1OCC(=O)O
InChIInChI=1S/C9H10O4/c1-12-7-4-2-3-5-8(7)13-6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
InChIKeyIHONYPFTXGQWAX-UHFFFAOYSA-N
XLogP1.00
TPSA55.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity169

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methocarbamol
CID 4107
Guaifenesin
CID 3516
Phenoxyacetic Acid
CID 19188
1-Phenoxy-2-propanol
CID 92839
2-Ethoxyphenol
CID 66755
2-(4-Methoxyphenoxy)propanoic acid
CID 151199
Phenoxyethyl isobutyrate
CID 61005
Sodium 2-(4-methoxyphenoxy)propanoate
CID 23670520
Guaiacyl acetate
CID 61155
Phenoxyethyl propionate
CID 31954
Guaiacol propionate
CID 348502
Phenoxyethyl acrylate
CID 39485

Frequently Asked Questions

What is the IUPAC name of 2-(2-Methoxyphenoxy)acetic acid?
The IUPAC name of 2-(2-Methoxyphenoxy)acetic acid (CID 15882) is 2-(2-methoxyphenoxy)acetic acid.
What is the SMILES notation for 2-(2-Methoxyphenoxy)acetic acid?
The canonical SMILES for 2-(2-Methoxyphenoxy)acetic acid is COC1=CC=CC=C1OCC(=O)O.
What is the InChIKey of 2-(2-Methoxyphenoxy)acetic acid?
The InChIKey is IHONYPFTXGQWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O4/c1-12-7-4-2-3-5-8(7)13-6-9(10)11/h2-5H,6H2,1H3,(H,10,11).
What are the key properties of 2-(2-Methoxyphenoxy)acetic acid?
2-(2-Methoxyphenoxy)acetic acid has a molecular weight of 182.17 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-Methoxyphenoxy)acetic acid is sourced from PubChem (CID 15882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).