2-methoxy-2-(2,4,6-trimethylphenyl)acetic acid

C12H16O3 — CID 15709414

IUPAC2-methoxy-2-(2,4,6-trimethylphenyl)acetic acid
SMILESCOC(C(=O)O)c1c(C)cc(C)cc1C
InChIInChI=1S/C12H16O3/c1-7-5-8(2)10(9(3)6-7)11(15-4)12(13)14/h5-6,11H,1-4H3,(H,13,14)
InChIKeyALSSATKTVNJMNY-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.38
Rot. Bonds3

About 2-methoxy-2-(2,4,6-trimethylphenyl)acetic acid

2-methoxy-2-(2,4,6-trimethylphenyl)acetic acid (PubChem CID 15709414) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-methoxy-2-(2,4,6-trimethylphenyl)acetic acid.

Molecular Properties

Compound Name2-methoxy-2-(2,4,6-trimethylphenyl)acetic acid
PubChem CID15709414
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name2-methoxy-2-(2,4,6-trimethylphenyl)acetic acid
SMILESCOC(C(=O)O)c1c(C)cc(C)cc1C
InChIInChI=1S/C12H16O3/c1-7-5-8(2)10(9(3)6-7)11(15-4)12(13)14/h5-6,11H,1-4H3,(H,13,14)
InChIKeyALSSATKTVNJMNY-UHFFFAOYSA-N
XLogP2.38
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(2,4,6-trimethylphenyl)propanoic acid
CID 54026726
2-(dimethylamino)-2-(2-methoxy-4,6-dimethylphenyl)acetic acid
CID 82476708
dimethyl 2-(2,4,6-trimethylphenyl)propanedioate
CID 2786932
2-amino-2-(2-chloro-4,6-dimethylphenyl)acetic acid
CID 84783100
2-acetamido-2-(2,4,6-trimethylphenyl)acetic acid
CID 63704772
2-methoxy-2-(2-methoxy-4,5-dimethylphenyl)acetic acid
CID 83839387
2-(3,4-dimethylphenyl)-2-methoxyacetic acid
CID 83224323
2-(2-methoxy-4,6-dimethylphenyl)sulfanylpropanoic acid
CID 116852443
3-amino-2-methyl-3-(2,4,6-trimethylphenyl)propanoic acid
CID 116938024
2-(2-methoxy-4,6-dimethylphenyl)hexanoic acid
CID 106681199
2-(3-chloro-4-methylphenyl)-2-methoxyacetic acid
CID 106819374
2-(2-fluoro-4,6-dimethylphenyl)propanoic acid
CID 84773931

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-(2,4,6-trimethylphenyl)acetic acid?
The IUPAC name of 2-methoxy-2-(2,4,6-trimethylphenyl)acetic acid (CID 15709414) is 2-methoxy-2-(2,4,6-trimethylphenyl)acetic acid.
What is the SMILES notation for 2-methoxy-2-(2,4,6-trimethylphenyl)acetic acid?
The canonical SMILES for 2-methoxy-2-(2,4,6-trimethylphenyl)acetic acid is COC(C(=O)O)c1c(C)cc(C)cc1C.
What is the InChIKey of 2-methoxy-2-(2,4,6-trimethylphenyl)acetic acid?
The InChIKey is ALSSATKTVNJMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-7-5-8(2)10(9(3)6-7)11(15-4)12(13)14/h5-6,11H,1-4H3,(H,13,14).
What are the key properties of 2-methoxy-2-(2,4,6-trimethylphenyl)acetic acid?
2-methoxy-2-(2,4,6-trimethylphenyl)acetic acid has a molecular weight of 208.26 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-(2,4,6-trimethylphenyl)acetic acid is sourced from PubChem (CID 15709414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).