3-(4-chloro-2-hydroxy-3-methoxyphenyl)-3-cyclopropylpropanoic acid

C13H15ClO4 — CID 117429783

IUPAC3-(4-chloro-2-hydroxy-3-methoxyphenyl)-3-cyclopropylpropanoic acid
SMILESCOc1c(Cl)ccc(C(CC(=O)O)C2CC2)c1O
InChIInChI=1S/C13H15ClO4/c1-18-13-10(14)5-4-8(12(13)17)9(6-11(15)16)7-2-3-7/h4-5,7,9,17H,2-3,6H2,1H3,(H,15,16)
InChIKeyHZUYUSLVCVMVFT-UHFFFAOYSA-N
MW270.71 g/mol
LogP3.02
Rot. Bonds5

About 3-(4-chloro-2-hydroxy-3-methoxyphenyl)-3-cyclopropylpropanoic acid

3-(4-chloro-2-hydroxy-3-methoxyphenyl)-3-cyclopropylpropanoic acid (PubChem CID 117429783) has the molecular formula C13H15ClO4 and a molecular weight of 270.71 g/mol. Its IUPAC name is 3-(4-chloro-2-hydroxy-3-methoxyphenyl)-3-cyclopropylpropanoic acid.

Molecular Properties

Compound Name3-(4-chloro-2-hydroxy-3-methoxyphenyl)-3-cyclopropylpropanoic acid
PubChem CID117429783
Molecular FormulaC13H15ClO4
Molecular Weight270.71 g/mol
Exact Mass270.07
IUPAC Name3-(4-chloro-2-hydroxy-3-methoxyphenyl)-3-cyclopropylpropanoic acid
SMILESCOc1c(Cl)ccc(C(CC(=O)O)C2CC2)c1O
InChIInChI=1S/C13H15ClO4/c1-18-13-10(14)5-4-8(12(13)17)9(6-11(15)16)7-2-3-7/h4-5,7,9,17H,2-3,6H2,1H3,(H,15,16)
InChIKeyHZUYUSLVCVMVFT-UHFFFAOYSA-N
XLogP3.02
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.71
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chloro-2-methoxy-6-methylphenyl)-3-cyclopropylpropanoic acid
CID 117425303
3-(5-chloro-3,4-dimethoxy-2-methylphenyl)-3-cyclopropylpropanoic acid
CID 117481176
3-(3-chloro-2-hydroxy-4,5-dimethoxyphenyl)-3-cyclopropylpropanoic acid
CID 117484375
3-(6-chloro-2-methoxy-3-methylphenyl)-3-cyclopropylpropanoic acid
CID 117425288
3-cyclopropyl-3-(4-methoxy-2,3-dimethylphenyl)propanoic acid
CID 82296370
3-cyclopropyl-3-(4-fluoro-2-methoxy-3-methylphenyl)propanoic acid
CID 117383677
3-cyclopropyl-3-(3,4-dimethoxy-2-methylphenyl)propanoic acid
CID 117415167
3-(4-chloro-2-methoxyphenyl)-3-cyclopropylpropanoic acid
CID 117389818
3-(5-chloro-2-hydroxy-3-methoxyphenyl)-3-cyclopropylpropanoic acid
CID 117429787
3-cyclopropyl-3-(2,5-dimethoxy-4-propan-2-ylphenyl)propanoic acid
CID 117472178
3-cyclopropyl-3-(5-hydroxy-4-methoxy-2,3-dimethylphenyl)propanoic acid
CID 117415157
3-cyclopropyl-3-(3-ethyl-2-methoxyphenyl)propanoic acid
CID 117373932

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-hydroxy-3-methoxyphenyl)-3-cyclopropylpropanoic acid?
The IUPAC name of 3-(4-chloro-2-hydroxy-3-methoxyphenyl)-3-cyclopropylpropanoic acid (CID 117429783) is 3-(4-chloro-2-hydroxy-3-methoxyphenyl)-3-cyclopropylpropanoic acid.
What is the SMILES notation for 3-(4-chloro-2-hydroxy-3-methoxyphenyl)-3-cyclopropylpropanoic acid?
The canonical SMILES for 3-(4-chloro-2-hydroxy-3-methoxyphenyl)-3-cyclopropylpropanoic acid is COc1c(Cl)ccc(C(CC(=O)O)C2CC2)c1O.
What is the InChIKey of 3-(4-chloro-2-hydroxy-3-methoxyphenyl)-3-cyclopropylpropanoic acid?
The InChIKey is HZUYUSLVCVMVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClO4/c1-18-13-10(14)5-4-8(12(13)17)9(6-11(15)16)7-2-3-7/h4-5,7,9,17H,2-3,6H2,1H3,(H,15,16).
What are the key properties of 3-(4-chloro-2-hydroxy-3-methoxyphenyl)-3-cyclopropylpropanoic acid?
3-(4-chloro-2-hydroxy-3-methoxyphenyl)-3-cyclopropylpropanoic acid has a molecular weight of 270.71 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-hydroxy-3-methoxyphenyl)-3-cyclopropylpropanoic acid is sourced from PubChem (CID 117429783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).