2-methoxy-2-(2-methoxy-4,5-dimethylphenyl)acetic acid

C12H16O4 — CID 83839387

IUPAC2-methoxy-2-(2-methoxy-4,5-dimethylphenyl)acetic acid
SMILESCOc1cc(C)c(C)cc1C(OC)C(=O)O
InChIInChI=1S/C12H16O4/c1-7-5-9(11(16-4)12(13)14)10(15-3)6-8(7)2/h5-6,11H,1-4H3,(H,13,14)
InChIKeyXCKKKHGYZBHVJN-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.08
Rot. Bonds4

About 2-methoxy-2-(2-methoxy-4,5-dimethylphenyl)acetic acid

2-methoxy-2-(2-methoxy-4,5-dimethylphenyl)acetic acid (PubChem CID 83839387) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-methoxy-2-(2-methoxy-4,5-dimethylphenyl)acetic acid.

Molecular Properties

Compound Name2-methoxy-2-(2-methoxy-4,5-dimethylphenyl)acetic acid
PubChem CID83839387
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name2-methoxy-2-(2-methoxy-4,5-dimethylphenyl)acetic acid
SMILESCOc1cc(C)c(C)cc1C(OC)C(=O)O
InChIInChI=1S/C12H16O4/c1-7-5-9(11(16-4)12(13)14)10(15-3)6-8(7)2/h5-6,11H,1-4H3,(H,13,14)
InChIKeyXCKKKHGYZBHVJN-UHFFFAOYSA-N
XLogP2.08
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-acetyl-2-methoxy-4-methylphenyl)-2-methoxyacetic acid
CID 67305498
2-methoxy-2-(2,4,5-trimethoxyphenyl)acetic acid
CID 116769401
2-(2,5-dimethoxy-4-methylphenyl)-2-hydroxyacetic acid
CID 23558595
3-amino-3-(4-methoxy-2,5-dimethylphenyl)-2-methylpropanoic acid
CID 116938026
2-[amino-(2-methoxy-4,5-dimethylphenyl)methyl]-3-methylbutanoic acid
CID 116945187
2-(3,4-dimethylphenyl)-2-methoxyacetic acid
CID 83224323
2-cyclopentyl-2-(2-methoxy-4,5-dimethylphenyl)acetic acid
CID 82485629
2-(2,3-dimethoxyphenyl)-2-methoxyacetic acid
CID 83224228
2-(2-hydroxy-4-methoxy-5-methylphenyl)propanoic acid
CID 117300178
2-methoxy-2-(2,4,6-trimethylphenyl)acetic acid
CID 15709414
2-chloro-2-(5-chloro-4-methoxy-2-methylphenyl)acetic acid
CID 82296774
methoxy-(2-methoxy-4,5-dimethylphenyl)methanamine
CID 116947260

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-(2-methoxy-4,5-dimethylphenyl)acetic acid?
The IUPAC name of 2-methoxy-2-(2-methoxy-4,5-dimethylphenyl)acetic acid (CID 83839387) is 2-methoxy-2-(2-methoxy-4,5-dimethylphenyl)acetic acid.
What is the SMILES notation for 2-methoxy-2-(2-methoxy-4,5-dimethylphenyl)acetic acid?
The canonical SMILES for 2-methoxy-2-(2-methoxy-4,5-dimethylphenyl)acetic acid is COc1cc(C)c(C)cc1C(OC)C(=O)O.
What is the InChIKey of 2-methoxy-2-(2-methoxy-4,5-dimethylphenyl)acetic acid?
The InChIKey is XCKKKHGYZBHVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-7-5-9(11(16-4)12(13)14)10(15-3)6-8(7)2/h5-6,11H,1-4H3,(H,13,14).
What are the key properties of 2-methoxy-2-(2-methoxy-4,5-dimethylphenyl)acetic acid?
2-methoxy-2-(2-methoxy-4,5-dimethylphenyl)acetic acid has a molecular weight of 224.26 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-(2-methoxy-4,5-dimethylphenyl)acetic acid is sourced from PubChem (CID 83839387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).