2-(3,4-dimethoxy-5-methylphenyl)acetic acid

C11H14O4 — CID 70527445

IUPAC2-(3,4-dimethoxy-5-methylphenyl)acetic acid
SMILESCOc1cc(CC(=O)O)cc(C)c1OC
InChIInChI=1S/C11H14O4/c1-7-4-8(6-10(12)13)5-9(14-2)11(7)15-3/h4-5H,6H2,1-3H3,(H,12,13)
InChIKeyOJPJLVFUDJSRMU-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.64
Rot. Bonds4

About 2-(3,4-dimethoxy-5-methylphenyl)acetic acid

2-(3,4-dimethoxy-5-methylphenyl)acetic acid (PubChem CID 70527445) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-(3,4-dimethoxy-5-methylphenyl)acetic acid.

Molecular Properties

Compound Name2-(3,4-dimethoxy-5-methylphenyl)acetic acid
PubChem CID70527445
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name2-(3,4-dimethoxy-5-methylphenyl)acetic acid
SMILESCOc1cc(CC(=O)O)cc(C)c1OC
InChIInChI=1S/C11H14O4/c1-7-4-8(6-10(12)13)5-9(14-2)11(7)15-3/h4-5H,6H2,1-3H3,(H,12,13)
InChIKeyOJPJLVFUDJSRMU-UHFFFAOYSA-N
XLogP1.64
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluoro-3-methoxy-5-methylphenyl)acetic acid
CID 117287612
2-(3,4-dimethoxy-5-methylphenyl)ethanol
CID 117286355
2-[[2-(4-methoxy-3,5-dimethylphenyl)acetyl]amino]acetic acid
CID 110834543
2-[4-(bromomethyl)-2-methoxy-6-methylphenyl]acetic acid
CID 171011048
2-(4-hexoxy-3,5-dimethoxyphenyl)acetic acid
CID 143268084
2-(3,4-dimethoxy-5-methylphenyl)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide
CID 122595148
1,2-dimethoxy-3-methyl-5-propylbenzene;ethane
CID 142056687
2-[3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]phenyl]acetic acid
CID 119351773
2-(4-methoxy-3,5-dimethylphenyl)-N-methylacetohydrazide
CID 116844882
2-(2,4-dimethoxy-3,6-dimethylphenyl)acetic acid
CID 84689068
2-(3-bromo-4-hydroxy-5-methoxyphenyl)acetic acid
CID 519805
2-(2-methoxy-3,5-dimethylphenoxy)acetic acid
CID 84677573

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxy-5-methylphenyl)acetic acid?
The IUPAC name of 2-(3,4-dimethoxy-5-methylphenyl)acetic acid (CID 70527445) is 2-(3,4-dimethoxy-5-methylphenyl)acetic acid.
What is the SMILES notation for 2-(3,4-dimethoxy-5-methylphenyl)acetic acid?
The canonical SMILES for 2-(3,4-dimethoxy-5-methylphenyl)acetic acid is COc1cc(CC(=O)O)cc(C)c1OC.
What is the InChIKey of 2-(3,4-dimethoxy-5-methylphenyl)acetic acid?
The InChIKey is OJPJLVFUDJSRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-7-4-8(6-10(12)13)5-9(14-2)11(7)15-3/h4-5H,6H2,1-3H3,(H,12,13).
What are the key properties of 2-(3,4-dimethoxy-5-methylphenyl)acetic acid?
2-(3,4-dimethoxy-5-methylphenyl)acetic acid has a molecular weight of 210.23 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxy-5-methylphenyl)acetic acid is sourced from PubChem (CID 70527445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).