2-[2,5-dimethoxy-4-(methoxymethyl)phenyl]acetic acid

C12H16O5 — CID 117353062

IUPAC2-[2,5-dimethoxy-4-(methoxymethyl)phenyl]acetic acid
SMILESCOCc1cc(OC)c(CC(=O)O)cc1OC
InChIInChI=1S/C12H16O5/c1-15-7-9-5-10(16-2)8(6-12(13)14)4-11(9)17-3/h4-5H,6-7H2,1-3H3,(H,13,14)
InChIKeyIFEWUHRIPVSAMF-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.48
Rot. Bonds6

About 2-[2,5-dimethoxy-4-(methoxymethyl)phenyl]acetic acid

2-[2,5-dimethoxy-4-(methoxymethyl)phenyl]acetic acid (PubChem CID 117353062) has the molecular formula C12H16O5 and a molecular weight of 240.25 g/mol. Its IUPAC name is 2-[2,5-dimethoxy-4-(methoxymethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2,5-dimethoxy-4-(methoxymethyl)phenyl]acetic acid
PubChem CID117353062
Molecular FormulaC12H16O5
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Name2-[2,5-dimethoxy-4-(methoxymethyl)phenyl]acetic acid
SMILESCOCc1cc(OC)c(CC(=O)O)cc1OC
InChIInChI=1S/C12H16O5/c1-15-7-9-5-10(16-2)8(6-12(13)14)4-11(9)17-3/h4-5H,6-7H2,1-3H3,(H,13,14)
InChIKeyIFEWUHRIPVSAMF-UHFFFAOYSA-N
XLogP1.48
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-fluoro-4-methoxy-5-(methoxymethyl)phenyl]acetic acid
CID 117328325
2-(4,5-dihydroxy-2-methoxyphenyl)acetic acid
CID 141381031
2-(4,5-diamino-2-methoxyphenyl)acetic acid
CID 171010739
4-[[4-(3-carboxypropanoyloxymethyl)-2,5-dimethoxyphenyl]methoxy]-4-oxobutanoic acid
CID 14545006
2-[1-[2,4-dimethoxy-5-(methoxymethyl)phenyl]cyclopropyl]acetic acid
CID 117449948
2-[3,6-dimethoxy-2-(methoxymethyl)phenyl]acetic acid
CID 117353050
2-(2,5-dimethoxy-4-phenylphenyl)acetic acid
CID 4270797
2-amino-1-[2,4-dimethoxy-5-(methoxymethyl)phenyl]ethanone
CID 117350605
2-[2,4-dimethoxy-5-(methoxymethyl)phenyl]propan-2-ol
CID 117353561
2-(5-fluoro-2-methoxy-4-methylphenyl)acetic acid
CID 84668061
2-(6-methoxy-2H-benzotriazol-5-yl)acetic acid
CID 175360709
2-[1-[4,5-dimethoxy-2-(methoxymethyl)phenyl]cyclopropyl]acetic acid
CID 117449949

Frequently Asked Questions

What is the IUPAC name of 2-[2,5-dimethoxy-4-(methoxymethyl)phenyl]acetic acid?
The IUPAC name of 2-[2,5-dimethoxy-4-(methoxymethyl)phenyl]acetic acid (CID 117353062) is 2-[2,5-dimethoxy-4-(methoxymethyl)phenyl]acetic acid.
What is the SMILES notation for 2-[2,5-dimethoxy-4-(methoxymethyl)phenyl]acetic acid?
The canonical SMILES for 2-[2,5-dimethoxy-4-(methoxymethyl)phenyl]acetic acid is COCc1cc(OC)c(CC(=O)O)cc1OC.
What is the InChIKey of 2-[2,5-dimethoxy-4-(methoxymethyl)phenyl]acetic acid?
The InChIKey is IFEWUHRIPVSAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O5/c1-15-7-9-5-10(16-2)8(6-12(13)14)4-11(9)17-3/h4-5H,6-7H2,1-3H3,(H,13,14).
What are the key properties of 2-[2,5-dimethoxy-4-(methoxymethyl)phenyl]acetic acid?
2-[2,5-dimethoxy-4-(methoxymethyl)phenyl]acetic acid has a molecular weight of 240.25 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-dimethoxy-4-(methoxymethyl)phenyl]acetic acid is sourced from PubChem (CID 117353062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).