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

C11H12O5 — CID 99976230

IUPAC2-(2-methoxycarbonyl-5-methylphenoxy)acetic acid
SMILESCOC(=O)c1ccc(C)cc1OCC(=O)O
InChIInChI=1S/C11H12O5/c1-7-3-4-8(11(14)15-2)9(5-7)16-6-10(12)13/h3-5H,6H2,1-2H3,(H,12,13)
InChIKeyUAXWWNIRUHSJKD-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.25
Rot. Bonds4

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

2-(2-methoxycarbonyl-5-methylphenoxy)acetic acid (PubChem CID 99976230) has the molecular formula C11H12O5 and a molecular weight of 224.21 g/mol. Its IUPAC name is 2-(2-methoxycarbonyl-5-methylphenoxy)acetic acid.

Molecular Properties

Compound Name2-(2-methoxycarbonyl-5-methylphenoxy)acetic acid
PubChem CID99976230
Molecular FormulaC11H12O5
Molecular Weight224.21 g/mol
Exact Mass224.07
IUPAC Name2-(2-methoxycarbonyl-5-methylphenoxy)acetic acid
SMILESCOC(=O)c1ccc(C)cc1OCC(=O)O
InChIInChI=1S/C11H12O5/c1-7-3-4-8(11(14)15-2)9(5-7)16-6-10(12)13/h3-5H,6H2,1-2H3,(H,12,13)
InChIKeyUAXWWNIRUHSJKD-UHFFFAOYSA-N
XLogP1.25
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2-amino-2-oxoethoxy)-4-methylbenzoate
CID 145310758
methanethiol;methyl 2-(dimethylaminooxy)-4-methylbenzoate
CID 144525219
2-[2-[[3,5-bis(trifluoromethyl)phenyl]methylcarbamoyl]-5-methylphenoxy]acetic acid
CID 142035557
methyl 2-(2-ethoxy-2-oxoethoxy)-4-iodobenzoate
CID 67324883
methyl 4-amino-2-[(4-methylphenyl)methoxy]benzoate
CID 106955007
methyl 3-[2-(2-formyl-4-methylphenoxy)acetyl]azulene-1-carboxylate
CID 11068444
2-[2-(3-methoxypropylamino)-2-oxoethoxy]-4-methylbenzoic acid
CID 45293171
methyl 2-(2,5-dimethylphenoxy)acetate
CID 729953
methyl 2-(chloromethyl)-4-methylbenzoate
CID 147716763
methyl 2-hydroxy-4-methylbenzoate;methyl 4-methyl-2-(trifluoromethylsulfonyloxy)benzoate
CID 162008092
2-(2-methoxycarbonyl-5-methylthiophen-3-yl)oxyacetic acid
CID 167841977
methyl 4-amino-2-[2-(methylamino)-2-oxoethoxy]benzoate
CID 106955114

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxycarbonyl-5-methylphenoxy)acetic acid?
The IUPAC name of 2-(2-methoxycarbonyl-5-methylphenoxy)acetic acid (CID 99976230) is 2-(2-methoxycarbonyl-5-methylphenoxy)acetic acid.
What is the SMILES notation for 2-(2-methoxycarbonyl-5-methylphenoxy)acetic acid?
The canonical SMILES for 2-(2-methoxycarbonyl-5-methylphenoxy)acetic acid is COC(=O)c1ccc(C)cc1OCC(=O)O.
What is the InChIKey of 2-(2-methoxycarbonyl-5-methylphenoxy)acetic acid?
The InChIKey is UAXWWNIRUHSJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O5/c1-7-3-4-8(11(14)15-2)9(5-7)16-6-10(12)13/h3-5H,6H2,1-2H3,(H,12,13).
What are the key properties of 2-(2-methoxycarbonyl-5-methylphenoxy)acetic acid?
2-(2-methoxycarbonyl-5-methylphenoxy)acetic acid has a molecular weight of 224.21 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxycarbonyl-5-methylphenoxy)acetic acid is sourced from PubChem (CID 99976230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).