3-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-2,2-dimethylpropanoic acid

C15H22O5 — CID 117453769

IUPAC3-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-2,2-dimethylpropanoic acid
SMILESCOCc1cc(CC(C)(C)C(=O)O)cc(OC)c1OC
InChIInChI=1S/C15H22O5/c1-15(2,14(16)17)8-10-6-11(9-18-3)13(20-5)12(7-10)19-4/h6-7H,8-9H2,1-5H3,(H,16,17)
InChIKeyIWNQMKJTUMFQMZ-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.50
Rot. Bonds7

About 3-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-2,2-dimethylpropanoic acid

3-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-2,2-dimethylpropanoic acid (PubChem CID 117453769) has the molecular formula C15H22O5 and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-2,2-dimethylpropanoic acid
PubChem CID117453769
Molecular FormulaC15H22O5
Molecular Weight282.34 g/mol
Exact Mass282.15
IUPAC Name3-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-2,2-dimethylpropanoic acid
SMILESCOCc1cc(CC(C)(C)C(=O)O)cc(OC)c1OC
InChIInChI=1S/C15H22O5/c1-15(2,14(16)17)8-10-6-11(9-18-3)13(20-5)12(7-10)19-4/h6-7H,8-9H2,1-5H3,(H,16,17)
InChIKeyIWNQMKJTUMFQMZ-UHFFFAOYSA-N
XLogP2.50
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-2-methylpropan-2-amine
CID 117386556
1-[3,4-dimethoxy-5-(methoxymethyl)phenyl]ethanone
CID 117321933
2-ethyl-2-[(3,4,5-trimethoxyphenyl)methyl]butanoic acid
CID 82111127
3-[3,5-difluoro-4-(methoxymethyl)phenyl]-2,2-dimethylpropanoic acid
CID 117398966
3-[3-chloro-4-(methoxymethyl)phenyl]-2,2-dimethylpropanoic acid
CID 117395219
3-(3-chloro-4,5-dimethoxy-2-methylphenyl)-2,2-dimethylpropanoic acid
CID 117462457
3-(4-methoxy-2,5-dimethylphenyl)-2,2-dimethylpropanoic acid
CID 82291639
3-[2,5-difluoro-4-(methoxymethyl)phenyl]-2,2-dimethylpropanoic acid
CID 117398967
3-(2,4-difluoro-3,5-dimethoxyphenyl)-2,2-dimethylpropanoic acid
CID 117438009
3-(6-chloro-2,3,4-trimethoxyphenyl)-2,2-dimethylpropanoic acid
CID 117487561
3-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2,2-dimethylpropanoic acid
CID 117472164
3-[4-(hydroxymethyl)-2,6-dimethoxyphenoxy]-2,2-dimethylpropanoic acid
CID 79624420

Frequently Asked Questions

What is the IUPAC name of 3-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-2,2-dimethylpropanoic acid (CID 117453769) is 3-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-2,2-dimethylpropanoic acid is COCc1cc(CC(C)(C)C(=O)O)cc(OC)c1OC.
What is the InChIKey of 3-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-2,2-dimethylpropanoic acid?
The InChIKey is IWNQMKJTUMFQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O5/c1-15(2,14(16)17)8-10-6-11(9-18-3)13(20-5)12(7-10)19-4/h6-7H,8-9H2,1-5H3,(H,16,17).
What are the key properties of 3-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-2,2-dimethylpropanoic acid?
3-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-2,2-dimethylpropanoic acid has a molecular weight of 282.34 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 117453769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).