3-(5-chloro-2-methoxyphenyl)-2-cyclopropyl-2-methylpropanoic acid

C14H17ClO3 — CID 83148269

IUPAC3-(5-chloro-2-methoxyphenyl)-2-cyclopropyl-2-methylpropanoic acid
SMILESCOc1ccc(Cl)cc1CC(C)(C(=O)O)C1CC1
InChIInChI=1S/C14H17ClO3/c1-14(13(16)17,10-3-4-10)8-9-7-11(15)5-6-12(9)18-2/h5-7,10H,3-4,8H2,1-2H3,(H,16,17)
InChIKeyCRJXMHQYYBCWMU-UHFFFAOYSA-N
MW268.74 g/mol
LogP3.39
Rot. Bonds5

About 3-(5-chloro-2-methoxyphenyl)-2-cyclopropyl-2-methylpropanoic acid

3-(5-chloro-2-methoxyphenyl)-2-cyclopropyl-2-methylpropanoic acid (PubChem CID 83148269) has the molecular formula C14H17ClO3 and a molecular weight of 268.74 g/mol. Its IUPAC name is 3-(5-chloro-2-methoxyphenyl)-2-cyclopropyl-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(5-chloro-2-methoxyphenyl)-2-cyclopropyl-2-methylpropanoic acid
PubChem CID83148269
Molecular FormulaC14H17ClO3
Molecular Weight268.74 g/mol
Exact Mass268.09
IUPAC Name3-(5-chloro-2-methoxyphenyl)-2-cyclopropyl-2-methylpropanoic acid
SMILESCOc1ccc(Cl)cc1CC(C)(C(=O)O)C1CC1
InChIInChI=1S/C14H17ClO3/c1-14(13(16)17,10-3-4-10)8-9-7-11(15)5-6-12(9)18-2/h5-7,10H,3-4,8H2,1-2H3,(H,16,17)
InChIKeyCRJXMHQYYBCWMU-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-chloro-2-methoxyphenyl)-2-cyclopropyl-2-methylpropan-1-ol
CID 83151151
N-tert-butyl-3-(5-chloro-2-methoxyphenyl)-2-cyclopropyl-2-methylpropan-1-amine
CID 83150527
4-(5-chloro-2-methoxyphenyl)-2,2-dimethylbutanoic acid
CID 82120597
4-(5-chloro-2-methoxyphenyl)-3,3-difluorobutanoic acid
CID 116839842
2-amino-2-(5-chloro-2-methoxyphenyl)-2-cyclopropylacetic acid
CID 3917542
2-[(5-chloro-2-methoxyphenyl)methylsulfanyl]-2-methylpropanoic acid
CID 81229977
2-[(5-chloro-2-methoxyphenyl)methyl]-2-methylpropane-1,3-diol
CID 79016756
1-(5-chloro-2-methoxyphenyl)-2-methylpentan-2-ol
CID 80557519
3-(5-bromo-2-fluorophenyl)-2-cyclopropyl-2-methylpropanoic acid
CID 83148148
2-[(5-chloro-2-methoxyphenyl)methyl]-3-ethoxy-2-fluoro-3-oxopropanoic acid
CID 69019894
1-(5-chloro-2-methoxyphenyl)-2-piperidin-3-ylpropan-2-ol
CID 65145742
2-(5-chloro-2-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 110767238

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methoxyphenyl)-2-cyclopropyl-2-methylpropanoic acid?
The IUPAC name of 3-(5-chloro-2-methoxyphenyl)-2-cyclopropyl-2-methylpropanoic acid (CID 83148269) is 3-(5-chloro-2-methoxyphenyl)-2-cyclopropyl-2-methylpropanoic acid.
What is the SMILES notation for 3-(5-chloro-2-methoxyphenyl)-2-cyclopropyl-2-methylpropanoic acid?
The canonical SMILES for 3-(5-chloro-2-methoxyphenyl)-2-cyclopropyl-2-methylpropanoic acid is COc1ccc(Cl)cc1CC(C)(C(=O)O)C1CC1.
What is the InChIKey of 3-(5-chloro-2-methoxyphenyl)-2-cyclopropyl-2-methylpropanoic acid?
The InChIKey is CRJXMHQYYBCWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO3/c1-14(13(16)17,10-3-4-10)8-9-7-11(15)5-6-12(9)18-2/h5-7,10H,3-4,8H2,1-2H3,(H,16,17).
What are the key properties of 3-(5-chloro-2-methoxyphenyl)-2-cyclopropyl-2-methylpropanoic acid?
3-(5-chloro-2-methoxyphenyl)-2-cyclopropyl-2-methylpropanoic acid has a molecular weight of 268.74 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methoxyphenyl)-2-cyclopropyl-2-methylpropanoic acid is sourced from PubChem (CID 83148269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).