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

C12H16O6 — CID 116769401

IUPAC2-methoxy-2-(2,4,5-trimethoxyphenyl)acetic acid
SMILESCOc1cc(OC)c(C(OC)C(=O)O)cc1OC
InChIInChI=1S/C12H16O6/c1-15-8-6-10(17-3)9(16-2)5-7(8)11(18-4)12(13)14/h5-6,11H,1-4H3,(H,13,14)
InChIKeyIEIFYLNJQTUVOS-UHFFFAOYSA-N
MW256.25 g/mol
LogP1.48
Rot. Bonds6

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

2-methoxy-2-(2,4,5-trimethoxyphenyl)acetic acid (PubChem CID 116769401) has the molecular formula C12H16O6 and a molecular weight of 256.25 g/mol. Its IUPAC name is 2-methoxy-2-(2,4,5-trimethoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-methoxy-2-(2,4,5-trimethoxyphenyl)acetic acid
PubChem CID116769401
Molecular FormulaC12H16O6
Molecular Weight256.25 g/mol
Exact Mass256.09
IUPAC Name2-methoxy-2-(2,4,5-trimethoxyphenyl)acetic acid
SMILESCOc1cc(OC)c(C(OC)C(=O)O)cc1OC
InChIInChI=1S/C12H16O6/c1-15-8-6-10(17-3)9(16-2)5-7(8)11(18-4)12(13)14/h5-6,11H,1-4H3,(H,13,14)
InChIKeyIEIFYLNJQTUVOS-UHFFFAOYSA-N
XLogP1.48
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-2-(2-methoxy-4,5-dimethylphenyl)acetic acid
CID 83839387
2-(5-acetyl-2-methoxy-4-methylphenyl)-2-methoxyacetic acid
CID 67305498
2-(2,3-dimethoxyphenyl)-2-methoxyacetic acid
CID 83224228
4-hydroxy-2,3-dimethyl-4-(2,4,5-trimethoxyphenyl)butanoic acid
CID 79414175
2-(2-bromo-4,5-dimethoxyphenyl)-2-propoxyacetic acid
CID 83223781
(1R)-1-hydroxy-1-(2,4,5-trimethoxyphenyl)propan-2-one
CID 46848158
2-(2,5-dimethoxy-4-propan-2-yloxyphenyl)-2-hydroxyacetic acid
CID 117428822
2-(ethylamino)-2-(2,4,5-trimethoxyphenyl)acetic acid
CID 43753940
2-pyrrolidin-1-yl-2-(2,4,5-trimethoxyphenyl)acetic acid
CID 43803535
(2R)-2-(2-bromophenyl)-2-methoxyacetic acid
CID 124585261
2-amino-2-(2,4,5-trimethoxyphenyl)ethanol;oxalic acid
CID 17389866
[(1R,2S)-1-[(2S)-2-methoxy-2-phenylacetyl]oxy-1-(2,4,5-trimethoxyphenyl)propan-2-yl] (2S)-2-methoxy-2-phenylacetate
CID 11191919

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-(2,4,5-trimethoxyphenyl)acetic acid?
The IUPAC name of 2-methoxy-2-(2,4,5-trimethoxyphenyl)acetic acid (CID 116769401) is 2-methoxy-2-(2,4,5-trimethoxyphenyl)acetic acid.
What is the SMILES notation for 2-methoxy-2-(2,4,5-trimethoxyphenyl)acetic acid?
The canonical SMILES for 2-methoxy-2-(2,4,5-trimethoxyphenyl)acetic acid is COc1cc(OC)c(C(OC)C(=O)O)cc1OC.
What is the InChIKey of 2-methoxy-2-(2,4,5-trimethoxyphenyl)acetic acid?
The InChIKey is IEIFYLNJQTUVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O6/c1-15-8-6-10(17-3)9(16-2)5-7(8)11(18-4)12(13)14/h5-6,11H,1-4H3,(H,13,14).
What are the key properties of 2-methoxy-2-(2,4,5-trimethoxyphenyl)acetic acid?
2-methoxy-2-(2,4,5-trimethoxyphenyl)acetic acid has a molecular weight of 256.25 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-(2,4,5-trimethoxyphenyl)acetic acid is sourced from PubChem (CID 116769401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).