2-[2-methoxy-6-(nitrosomethyl)phenoxy]acetic acid

C10H11NO5 — CID 54487376

IUPAC2-[2-methoxy-6-(nitrosomethyl)phenoxy]acetic acid
SMILESCOc1cccc(CN=O)c1OCC(=O)O
InChIInChI=1S/C10H11NO5/c1-15-8-4-2-3-7(5-11-14)10(8)16-6-9(12)13/h2-4H,5-6H2,1H3,(H,12,13)
InChIKeyXTGSHAWUZNHGIG-UHFFFAOYSA-N
MW225.20 g/mol
LogP1.42
Rot. Bonds6

About 2-[2-methoxy-6-(nitrosomethyl)phenoxy]acetic acid

2-[2-methoxy-6-(nitrosomethyl)phenoxy]acetic acid (PubChem CID 54487376) has the molecular formula C10H11NO5 and a molecular weight of 225.20 g/mol. Its IUPAC name is 2-[2-methoxy-6-(nitrosomethyl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-methoxy-6-(nitrosomethyl)phenoxy]acetic acid
PubChem CID54487376
Molecular FormulaC10H11NO5
Molecular Weight225.20 g/mol
Exact Mass225.06
IUPAC Name2-[2-methoxy-6-(nitrosomethyl)phenoxy]acetic acid
SMILESCOc1cccc(CN=O)c1OCC(=O)O
InChIInChI=1S/C10H11NO5/c1-15-8-4-2-3-7(5-11-14)10(8)16-6-9(12)13/h2-4H,5-6H2,1H3,(H,12,13)
InChIKeyXTGSHAWUZNHGIG-UHFFFAOYSA-N
XLogP1.42
TPSA85.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(1-hydroxybutan-2-ylamino)methyl]-6-methoxyphenoxy]acetic acid
CID 102535747
2-[2-[(cyclopentylamino)methyl]-6-methoxyphenoxy]acetic acid
CID 102535746
2-[2-[[2-(dimethylamino)ethylamino]methyl]-6-methoxyphenoxy]acetic acid
CID 102536745
2-(2-formyl-6-methoxyphenoxy)acetic acid
CID 737589
2-[2-[(E)-2-ethenylbut-2-enoxy]-3-methoxyphenyl]acetic acid
CID 139576303
2-[2-(hydroxymethyl)-6-methoxyphenoxy]acetamide
CID 964386
2-[2-[2-(2,6-dimethoxypyrimidin-4-yl)ethyl]-6-methoxyphenoxy]acetic acid
CID 166679044
3-methoxy-2-(2-methylprop-2-enoxy)benzoic acid
CID 61379741
2-[2-(aminomethyl)-6-methoxyphenoxy]-N,N-dimethylacetamide
CID 43471479
2-[2-(2-aminopropyl)-6-methoxyphenoxy]acetamide
CID 54929037
2-[2-ethoxy-6-(ethylaminomethyl)phenoxy]acetic acid
CID 102535781
1-bromo-2-methoxy-3-(nitrosomethyl)benzene
CID 88892699

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-6-(nitrosomethyl)phenoxy]acetic acid?
The IUPAC name of 2-[2-methoxy-6-(nitrosomethyl)phenoxy]acetic acid (CID 54487376) is 2-[2-methoxy-6-(nitrosomethyl)phenoxy]acetic acid.
What is the SMILES notation for 2-[2-methoxy-6-(nitrosomethyl)phenoxy]acetic acid?
The canonical SMILES for 2-[2-methoxy-6-(nitrosomethyl)phenoxy]acetic acid is COc1cccc(CN=O)c1OCC(=O)O.
What is the InChIKey of 2-[2-methoxy-6-(nitrosomethyl)phenoxy]acetic acid?
The InChIKey is XTGSHAWUZNHGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO5/c1-15-8-4-2-3-7(5-11-14)10(8)16-6-9(12)13/h2-4H,5-6H2,1H3,(H,12,13).
What are the key properties of 2-[2-methoxy-6-(nitrosomethyl)phenoxy]acetic acid?
2-[2-methoxy-6-(nitrosomethyl)phenoxy]acetic acid has a molecular weight of 225.20 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-6-(nitrosomethyl)phenoxy]acetic acid is sourced from PubChem (CID 54487376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).