2-(3-methoxy-5-methylphenoxy)acetic acid

C10H12O4 — CID 55264388

IUPAC2-(3-methoxy-5-methylphenoxy)acetic acid
SMILESCOc1cc(C)cc(OCC(=O)O)c1
InChIInChI=1S/C10H12O4/c1-7-3-8(13-2)5-9(4-7)14-6-10(11)12/h3-5H,6H2,1-2H3,(H,11,12)
InChIKeyXHVIJVUXGRHHTH-UHFFFAOYSA-N
MW196.20 g/mol
LogP1.47
Rot. Bonds4

About 2-(3-methoxy-5-methylphenoxy)acetic acid

2-(3-methoxy-5-methylphenoxy)acetic acid (PubChem CID 55264388) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is 2-(3-methoxy-5-methylphenoxy)acetic acid.

Molecular Properties

Compound Name2-(3-methoxy-5-methylphenoxy)acetic acid
PubChem CID55264388
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name2-(3-methoxy-5-methylphenoxy)acetic acid
SMILESCOc1cc(C)cc(OCC(=O)O)c1
InChIInChI=1S/C10H12O4/c1-7-3-8(13-2)5-9(4-7)14-6-10(11)12/h3-5H,6H2,1-2H3,(H,11,12)
InChIKeyXHVIJVUXGRHHTH-UHFFFAOYSA-N
XLogP1.47
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dimethoxyphenyl) 2-(3,5-dimethylphenoxy)acetate
CID 8753296
ethyl 2-(3-methoxy-5-methylphenoxy)acetate
CID 59177445
1-(3,5-dimethoxyphenoxy)propan-2-one
CID 43411971
1-methoxy-3-(2-methoxyethoxy)-5-methylbenzene
CID 59177626
2-(3-methoxy-5-methylphenoxy)ethanol
CID 59177464
1,3-dimethoxy-5-methylbenzene;methane
CID 142906999
1-(3,5-dimethylphenoxy)-3-methoxypropan-2-one
CID 107507960
4-(3,5-dimethoxyphenoxy)butanoic acid
CID 43351586
2-[4-(3,5-dimethylphenyl)phenoxy]acetic acid
CID 66680223
2-(2-methoxy-3,5-dimethylphenoxy)acetic acid
CID 84677573
2-[3-(carboxymethoxy)-5-formylphenoxy]acetic acid
CID 57316447
1-butoxy-3-methoxy-5-methylbenzene
CID 118268625

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-5-methylphenoxy)acetic acid?
The IUPAC name of 2-(3-methoxy-5-methylphenoxy)acetic acid (CID 55264388) is 2-(3-methoxy-5-methylphenoxy)acetic acid.
What is the SMILES notation for 2-(3-methoxy-5-methylphenoxy)acetic acid?
The canonical SMILES for 2-(3-methoxy-5-methylphenoxy)acetic acid is COc1cc(C)cc(OCC(=O)O)c1.
What is the InChIKey of 2-(3-methoxy-5-methylphenoxy)acetic acid?
The InChIKey is XHVIJVUXGRHHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c1-7-3-8(13-2)5-9(4-7)14-6-10(11)12/h3-5H,6H2,1-2H3,(H,11,12).
What are the key properties of 2-(3-methoxy-5-methylphenoxy)acetic acid?
2-(3-methoxy-5-methylphenoxy)acetic acid has a molecular weight of 196.20 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-5-methylphenoxy)acetic acid is sourced from PubChem (CID 55264388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).