2-(3,4-dimethylphenyl)-2-methoxyacetic acid

C11H14O3 — CID 83224323

IUPAC2-(3,4-dimethylphenyl)-2-methoxyacetic acid
SMILESCOC(C(=O)O)c1ccc(C)c(C)c1
InChIInChI=1S/C11H14O3/c1-7-4-5-9(6-8(7)2)10(14-3)11(12)13/h4-6,10H,1-3H3,(H,12,13)
InChIKeyAQQMRQXDMGJKDG-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.08
Rot. Bonds3

About 2-(3,4-dimethylphenyl)-2-methoxyacetic acid

2-(3,4-dimethylphenyl)-2-methoxyacetic acid (PubChem CID 83224323) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-2-methoxyacetic acid.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-2-methoxyacetic acid
PubChem CID83224323
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name2-(3,4-dimethylphenyl)-2-methoxyacetic acid
SMILESCOC(C(=O)O)c1ccc(C)c(C)c1
InChIInChI=1S/C11H14O3/c1-7-4-5-9(6-8(7)2)10(14-3)11(12)13/h4-6,10H,1-3H3,(H,12,13)
InChIKeyAQQMRQXDMGJKDG-UHFFFAOYSA-N
XLogP2.08
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-4-methylphenyl)-2-methoxyacetic acid
CID 106819374
2-(3,4-dimethylphenyl)-3-methylbutanoic acid
CID 12604022
3-(3,4-dimethylphenyl)-2-methylbutanoic acid
CID 79729840
(2R)-2-methoxy-2-(4-phenylphenyl)acetic acid
CID 124603467
(2R)-2-(3-aminophenyl)-2-methoxyacetic acid
CID 67007354
2-methoxy-2-(2-methoxy-4,5-dimethylphenyl)acetic acid
CID 83839387
(3R)-3-(3,4-dimethylphenyl)butanoic acid
CID 42073243
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methoxyacetic acid
CID 116769366
2-(3,5-difluorophenyl)-2-methoxyacetic acid
CID 22392927
2-methoxy-2-(2,4,6-trimethylphenyl)acetic acid
CID 15709414
(2S)-2-methoxy-2-(4-phenoxyphenyl)acetic acid
CID 129384207
2-[4-(4-chlorophenyl)phenyl]-2-methoxyacetic acid
CID 70572133

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-2-methoxyacetic acid?
The IUPAC name of 2-(3,4-dimethylphenyl)-2-methoxyacetic acid (CID 83224323) is 2-(3,4-dimethylphenyl)-2-methoxyacetic acid.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-2-methoxyacetic acid?
The canonical SMILES for 2-(3,4-dimethylphenyl)-2-methoxyacetic acid is COC(C(=O)O)c1ccc(C)c(C)c1.
What is the InChIKey of 2-(3,4-dimethylphenyl)-2-methoxyacetic acid?
The InChIKey is AQQMRQXDMGJKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-7-4-5-9(6-8(7)2)10(14-3)11(12)13/h4-6,10H,1-3H3,(H,12,13).
What are the key properties of 2-(3,4-dimethylphenyl)-2-methoxyacetic acid?
2-(3,4-dimethylphenyl)-2-methoxyacetic acid has a molecular weight of 194.23 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-2-methoxyacetic acid is sourced from PubChem (CID 83224323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).