2-[2-chloro-6-(1-methoxyethoxy)-4-methylphenyl]acetic acid

C12H15ClO4 — CID 67171574

IUPAC2-[2-chloro-6-(1-methoxyethoxy)-4-methylphenyl]acetic acid
SMILESCOC(C)Oc1cc(C)cc(Cl)c1CC(=O)O
InChIInChI=1S/C12H15ClO4/c1-7-4-10(13)9(6-12(14)15)11(5-7)17-8(2)16-3/h4-5,8H,6H2,1-3H3,(H,14,15)
InChIKeyHJVLJACKEGLUBZ-UHFFFAOYSA-N
MW258.70 g/mol
LogP2.65
Rot. Bonds5

About 2-[2-chloro-6-(1-methoxyethoxy)-4-methylphenyl]acetic acid

2-[2-chloro-6-(1-methoxyethoxy)-4-methylphenyl]acetic acid (PubChem CID 67171574) has the molecular formula C12H15ClO4 and a molecular weight of 258.70 g/mol. Its IUPAC name is 2-[2-chloro-6-(1-methoxyethoxy)-4-methylphenyl]acetic acid.

Molecular Properties

Compound Name2-[2-chloro-6-(1-methoxyethoxy)-4-methylphenyl]acetic acid
PubChem CID67171574
Molecular FormulaC12H15ClO4
Molecular Weight258.70 g/mol
Exact Mass258.07
IUPAC Name2-[2-chloro-6-(1-methoxyethoxy)-4-methylphenyl]acetic acid
SMILESCOC(C)Oc1cc(C)cc(Cl)c1CC(=O)O
InChIInChI=1S/C12H15ClO4/c1-7-4-10(13)9(6-12(14)15)11(5-7)17-8(2)16-3/h4-5,8H,6H2,1-3H3,(H,14,15)
InChIKeyHJVLJACKEGLUBZ-UHFFFAOYSA-N
XLogP2.65
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.70
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-(1-methoxyethoxy)-4-methylphenyl]acetic acid?
The IUPAC name of 2-[2-chloro-6-(1-methoxyethoxy)-4-methylphenyl]acetic acid (CID 67171574) is 2-[2-chloro-6-(1-methoxyethoxy)-4-methylphenyl]acetic acid.
What is the SMILES notation for 2-[2-chloro-6-(1-methoxyethoxy)-4-methylphenyl]acetic acid?
The canonical SMILES for 2-[2-chloro-6-(1-methoxyethoxy)-4-methylphenyl]acetic acid is COC(C)Oc1cc(C)cc(Cl)c1CC(=O)O.
What is the InChIKey of 2-[2-chloro-6-(1-methoxyethoxy)-4-methylphenyl]acetic acid?
The InChIKey is HJVLJACKEGLUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO4/c1-7-4-10(13)9(6-12(14)15)11(5-7)17-8(2)16-3/h4-5,8H,6H2,1-3H3,(H,14,15).
What are the key properties of 2-[2-chloro-6-(1-methoxyethoxy)-4-methylphenyl]acetic acid?
2-[2-chloro-6-(1-methoxyethoxy)-4-methylphenyl]acetic acid has a molecular weight of 258.70 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-6-(1-methoxyethoxy)-4-methylphenyl]acetic acid is sourced from PubChem (CID 67171574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).