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

C13H15ClO3 — CID 117389818

IUPAC3-(4-chloro-2-methoxyphenyl)-3-cyclopropylpropanoic acid
SMILESCOc1cc(Cl)ccc1C(CC(=O)O)C1CC1
InChIInChI=1S/C13H15ClO3/c1-17-12-6-9(14)4-5-10(12)11(7-13(15)16)8-2-3-8/h4-6,8,11H,2-3,7H2,1H3,(H,15,16)
InChIKeyITDPFTSQYJTGDM-UHFFFAOYSA-N
MW254.71 g/mol
LogP3.32
Rot. Bonds5

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

3-(4-chloro-2-methoxyphenyl)-3-cyclopropylpropanoic acid (PubChem CID 117389818) has the molecular formula C13H15ClO3 and a molecular weight of 254.71 g/mol. Its IUPAC name is 3-(4-chloro-2-methoxyphenyl)-3-cyclopropylpropanoic acid.

Molecular Properties

Compound Name3-(4-chloro-2-methoxyphenyl)-3-cyclopropylpropanoic acid
PubChem CID117389818
Molecular FormulaC13H15ClO3
Molecular Weight254.71 g/mol
Exact Mass254.07
IUPAC Name3-(4-chloro-2-methoxyphenyl)-3-cyclopropylpropanoic acid
SMILESCOc1cc(Cl)ccc1C(CC(=O)O)C1CC1
InChIInChI=1S/C13H15ClO3/c1-17-12-6-9(14)4-5-10(12)11(7-13(15)16)8-2-3-8/h4-6,8,11H,2-3,7H2,1H3,(H,15,16)
InChIKeyITDPFTSQYJTGDM-UHFFFAOYSA-N
XLogP3.32
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.71
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
(3S)-3-(4-chloro-2-methoxyphenyl)-3-hydroxypropanoic acid
CID 96804173
3-cyclopropyl-3-(4-methoxy-2,3-dimethylphenyl)propanoic acid
CID 82296370
3-cyclopropyl-3-(3-methoxy-4-propan-2-ylphenyl)propanoic acid
CID 117410585
3-cyclopropyl-3-(4-fluoro-2-methoxy-5-methylphenyl)propanoic acid
CID 117383658
5-(2-carboxy-1-cyclopropylethyl)-2,4-dimethoxybenzoic acid
CID 117474720
3-(2-chloro-5-fluoro-3-methoxyphenyl)-3-cyclopropylpropanoic acid
CID 117434403
3-(5-chloro-4-methoxy-2-propan-2-ylphenyl)-3-cyclopropylpropanoic acid
CID 117478149
3-cyclopropyl-3-(2-hydroxy-4,5-dimethoxyphenyl)propanoic acid
CID 117419605
3-cyclopropyl-3-(3,4-dimethoxy-2-methylphenyl)propanoic acid
CID 117415167
3-cyclopropyl-3-(4-fluoro-2-methoxy-3-methylphenyl)propanoic acid
CID 117383677

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-methoxyphenyl)-3-cyclopropylpropanoic acid?
The IUPAC name of 3-(4-chloro-2-methoxyphenyl)-3-cyclopropylpropanoic acid (CID 117389818) is 3-(4-chloro-2-methoxyphenyl)-3-cyclopropylpropanoic acid.
What is the SMILES notation for 3-(4-chloro-2-methoxyphenyl)-3-cyclopropylpropanoic acid?
The canonical SMILES for 3-(4-chloro-2-methoxyphenyl)-3-cyclopropylpropanoic acid is COc1cc(Cl)ccc1C(CC(=O)O)C1CC1.
What is the InChIKey of 3-(4-chloro-2-methoxyphenyl)-3-cyclopropylpropanoic acid?
The InChIKey is ITDPFTSQYJTGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClO3/c1-17-12-6-9(14)4-5-10(12)11(7-13(15)16)8-2-3-8/h4-6,8,11H,2-3,7H2,1H3,(H,15,16).
What are the key properties of 3-(4-chloro-2-methoxyphenyl)-3-cyclopropylpropanoic acid?
3-(4-chloro-2-methoxyphenyl)-3-cyclopropylpropanoic acid has a molecular weight of 254.71 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-methoxyphenyl)-3-cyclopropylpropanoic acid is sourced from PubChem (CID 117389818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).