3-(6-chloro-2-methoxy-3-methylphenyl)-3-cyclopropylpropanoic acid

C14H17ClO3 — CID 117425288

IUPAC3-(6-chloro-2-methoxy-3-methylphenyl)-3-cyclopropylpropanoic acid
SMILESCOc1c(C)ccc(Cl)c1C(CC(=O)O)C1CC1
InChIInChI=1S/C14H17ClO3/c1-8-3-6-11(15)13(14(8)18-2)10(7-12(16)17)9-4-5-9/h3,6,9-10H,4-5,7H2,1-2H3,(H,16,17)
InChIKeyQDTGAMBXTOGUAF-UHFFFAOYSA-N
MW268.74 g/mol
LogP3.63
Rot. Bonds5

About 3-(6-chloro-2-methoxy-3-methylphenyl)-3-cyclopropylpropanoic acid

3-(6-chloro-2-methoxy-3-methylphenyl)-3-cyclopropylpropanoic acid (PubChem CID 117425288) has the molecular formula C14H17ClO3 and a molecular weight of 268.74 g/mol. Its IUPAC name is 3-(6-chloro-2-methoxy-3-methylphenyl)-3-cyclopropylpropanoic acid.

Molecular Properties

Compound Name3-(6-chloro-2-methoxy-3-methylphenyl)-3-cyclopropylpropanoic acid
PubChem CID117425288
Molecular FormulaC14H17ClO3
Molecular Weight268.74 g/mol
Exact Mass268.09
IUPAC Name3-(6-chloro-2-methoxy-3-methylphenyl)-3-cyclopropylpropanoic acid
SMILESCOc1c(C)ccc(Cl)c1C(CC(=O)O)C1CC1
InChIInChI=1S/C14H17ClO3/c1-8-3-6-11(15)13(14(8)18-2)10(7-12(16)17)9-4-5-9/h3,6,9-10H,4-5,7H2,1-2H3,(H,16,17)
InChIKeyQDTGAMBXTOGUAF-UHFFFAOYSA-N
XLogP3.63
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chloro-2-methoxy-6-methylphenyl)-3-cyclopropylpropanoic acid
CID 117425303
3-cyclopropyl-3-(2-methoxy-3,6-dimethylphenyl)propanoic acid
CID 117373940
3-(2-chloro-6-methoxy-3,5-dimethylphenyl)-3-cyclopropylpropanoic acid
CID 117454452
3-(4-chloro-2-hydroxy-3-methoxyphenyl)-3-cyclopropylpropanoic acid
CID 117429783
3-(6-chloro-4-formyl-2,3-dimethoxyphenyl)-3-cyclopropylpropanoic acid
CID 117497771
3-(5-chloro-3,4-dimethoxy-2-methylphenyl)-3-cyclopropylpropanoic acid
CID 117481176
3-(3-chloro-4-methylphenyl)-3-cyclopropylpropanoic acid
CID 83824648
3-(2-chloro-3-hydroxy-5,6-dimethoxyphenyl)-3-cyclopropylpropanoic acid
CID 117484373
3-cyclopropyl-3-(3,4-dimethoxy-2,5-dimethylphenyl)propanoic acid
CID 117446258
3-(3-chloro-2,6-difluoro-5-methylphenyl)-3-cyclopropylpropanoic acid
CID 117439156
3-(2-acetamido-6-chloro-3-hydroxyphenyl)-3-cyclopropylpropanoic acid
CID 117479334
3-cyclopropyl-3-(4-methoxy-2,3-dimethylphenyl)propanoic acid
CID 82296370

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-2-methoxy-3-methylphenyl)-3-cyclopropylpropanoic acid?
The IUPAC name of 3-(6-chloro-2-methoxy-3-methylphenyl)-3-cyclopropylpropanoic acid (CID 117425288) is 3-(6-chloro-2-methoxy-3-methylphenyl)-3-cyclopropylpropanoic acid.
What is the SMILES notation for 3-(6-chloro-2-methoxy-3-methylphenyl)-3-cyclopropylpropanoic acid?
The canonical SMILES for 3-(6-chloro-2-methoxy-3-methylphenyl)-3-cyclopropylpropanoic acid is COc1c(C)ccc(Cl)c1C(CC(=O)O)C1CC1.
What is the InChIKey of 3-(6-chloro-2-methoxy-3-methylphenyl)-3-cyclopropylpropanoic acid?
The InChIKey is QDTGAMBXTOGUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO3/c1-8-3-6-11(15)13(14(8)18-2)10(7-12(16)17)9-4-5-9/h3,6,9-10H,4-5,7H2,1-2H3,(H,16,17).
What are the key properties of 3-(6-chloro-2-methoxy-3-methylphenyl)-3-cyclopropylpropanoic acid?
3-(6-chloro-2-methoxy-3-methylphenyl)-3-cyclopropylpropanoic acid has a molecular weight of 268.74 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-2-methoxy-3-methylphenyl)-3-cyclopropylpropanoic acid is sourced from PubChem (CID 117425288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).