2-methoxy-2-(4-methoxycarbonylphenyl)acetic acid

C11H12O5 — CID 21261883

IUPAC2-methoxy-2-(4-methoxycarbonylphenyl)acetic acid
SMILESCOC(=O)c1ccc(C(OC)C(=O)O)cc1
InChIInChI=1S/C11H12O5/c1-15-9(10(12)13)7-3-5-8(6-4-7)11(14)16-2/h3-6,9H,1-2H3,(H,12,13)
InChIKeyOPOLULZVQNUKEQ-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.25
Rot. Bonds4

About 2-methoxy-2-(4-methoxycarbonylphenyl)acetic acid

2-methoxy-2-(4-methoxycarbonylphenyl)acetic acid (PubChem CID 21261883) has the molecular formula C11H12O5 and a molecular weight of 224.21 g/mol. Its IUPAC name is 2-methoxy-2-(4-methoxycarbonylphenyl)acetic acid.

Molecular Properties

Compound Name2-methoxy-2-(4-methoxycarbonylphenyl)acetic acid
PubChem CID21261883
Molecular FormulaC11H12O5
Molecular Weight224.21 g/mol
Exact Mass224.07
IUPAC Name2-methoxy-2-(4-methoxycarbonylphenyl)acetic acid
SMILESCOC(=O)c1ccc(C(OC)C(=O)O)cc1
InChIInChI=1S/C11H12O5/c1-15-9(10(12)13)7-3-5-8(6-4-7)11(14)16-2/h3-6,9H,1-2H3,(H,12,13)
InChIKeyOPOLULZVQNUKEQ-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

3-hydroxy-3-(4-methoxycarbonylphenyl)-2-methylpropanoic acid
CID 70160965
2-(4-methoxycarbonylphenyl)-3,3-dimethylbutanoic acid
CID 67204122
(2S)-2-methoxy-2-(4-phenoxyphenyl)acetic acid
CID 129384207
2-[4-(4-chlorophenyl)phenyl]-2-methoxyacetic acid
CID 70572133
(2S)-2-methoxy-2-[4-(trifluoromethyl)phenyl]acetic acid
CID 97052451
methanol;methyl 4-[(1S)-1-aminoethyl]benzoate
CID 143623617
methyl 4-(1-amino-2-methoxy-2-oxoethyl)benzoate
CID 10082311
methyl 4-[amino(iodo)methyl]benzoate
CID 140524482
methyl 4-[(1S)-1-hydroxy-3-methylbutyl]benzoate
CID 124565441
CID 67391169
CID 67391169
dimethyl benzene-1,4-dicarboxylate;methanol;terephthalic acid
CID 159205173
methyl 4-methoxycarbonyloxybenzoate
CID 584598

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-(4-methoxycarbonylphenyl)acetic acid?
The IUPAC name of 2-methoxy-2-(4-methoxycarbonylphenyl)acetic acid (CID 21261883) is 2-methoxy-2-(4-methoxycarbonylphenyl)acetic acid.
What is the SMILES notation for 2-methoxy-2-(4-methoxycarbonylphenyl)acetic acid?
The canonical SMILES for 2-methoxy-2-(4-methoxycarbonylphenyl)acetic acid is COC(=O)c1ccc(C(OC)C(=O)O)cc1.
What is the InChIKey of 2-methoxy-2-(4-methoxycarbonylphenyl)acetic acid?
The InChIKey is OPOLULZVQNUKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O5/c1-15-9(10(12)13)7-3-5-8(6-4-7)11(14)16-2/h3-6,9H,1-2H3,(H,12,13).
What are the key properties of 2-methoxy-2-(4-methoxycarbonylphenyl)acetic acid?
2-methoxy-2-(4-methoxycarbonylphenyl)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-methoxy-2-(4-methoxycarbonylphenyl)acetic acid is sourced from PubChem (CID 21261883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).