1-(5-tert-butyl-2-methoxyphenyl)cyclopropane-1-carboxylic acid

C15H20O3 — CID 82296346

IUPAC1-(5-tert-butyl-2-methoxyphenyl)cyclopropane-1-carboxylic acid
SMILESCOc1ccc(C(C)(C)C)cc1C1(C(=O)O)CC1
InChIInChI=1S/C15H20O3/c1-14(2,3)10-5-6-12(18-4)11(9-10)15(7-8-15)13(16)17/h5-6,9H,7-8H2,1-4H3,(H,16,17)
InChIKeyXERCZJYNXYMXDI-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.11
Rot. Bonds3

About 1-(5-tert-butyl-2-methoxyphenyl)cyclopropane-1-carboxylic acid

1-(5-tert-butyl-2-methoxyphenyl)cyclopropane-1-carboxylic acid (PubChem CID 82296346) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 1-(5-tert-butyl-2-methoxyphenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(5-tert-butyl-2-methoxyphenyl)cyclopropane-1-carboxylic acid
PubChem CID82296346
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name1-(5-tert-butyl-2-methoxyphenyl)cyclopropane-1-carboxylic acid
SMILESCOc1ccc(C(C)(C)C)cc1C1(C(=O)O)CC1
InChIInChI=1S/C15H20O3/c1-14(2,3)10-5-6-12(18-4)11(9-10)15(7-8-15)13(16)17/h5-6,9H,7-8H2,1-4H3,(H,16,17)
InChIKeyXERCZJYNXYMXDI-UHFFFAOYSA-N
XLogP3.11
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-methoxy-5-(2-methylbutan-2-yl)phenyl]cyclopropane-1-carboxylic acid
CID 117410551
2-[1-(5-tert-butyl-2-methoxyphenyl)cyclopropyl]acetic acid
CID 117410634
1-[5-(2,2-dimethylpropyl)-2-methoxyphenyl]cyclohexane-1-carboxylic acid
CID 117489779
1-(5-chloro-2-methoxyphenyl)cycloheptane-1-carboxylic acid
CID 28937782
1-(2-chloro-4,5-dimethoxyphenyl)cyclopropane-1-carboxylic acid
CID 105424298
1-(5-hydroxy-2,4-dimethoxyphenyl)cyclopropane-1-carboxylic acid
CID 117348579
4-(2,5-dimethoxyphenyl)piperidine-4-carboxylic acid
CID 82091719
4-(2-amino-5-tert-butylphenyl)oxane-4-carboxylic acid
CID 106702277
1-[2-methoxy-5-(thian-4-yl)phenyl]cyclopropane-1-carboxylic acid
CID 117472322
1-(4-tert-butyl-5-hydroxy-2-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117446135
1-(4,5-dimethoxy-2-methylphenyl)cyclopropane-1-carboxylic acid
CID 82496751
1-(5-chloro-2,3-dimethoxyphenyl)cyclopropane-1-carboxylic acid
CID 117394916

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-2-methoxyphenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(5-tert-butyl-2-methoxyphenyl)cyclopropane-1-carboxylic acid (CID 82296346) is 1-(5-tert-butyl-2-methoxyphenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(5-tert-butyl-2-methoxyphenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(5-tert-butyl-2-methoxyphenyl)cyclopropane-1-carboxylic acid is COc1ccc(C(C)(C)C)cc1C1(C(=O)O)CC1.
What is the InChIKey of 1-(5-tert-butyl-2-methoxyphenyl)cyclopropane-1-carboxylic acid?
The InChIKey is XERCZJYNXYMXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-14(2,3)10-5-6-12(18-4)11(9-10)15(7-8-15)13(16)17/h5-6,9H,7-8H2,1-4H3,(H,16,17).
What are the key properties of 1-(5-tert-butyl-2-methoxyphenyl)cyclopropane-1-carboxylic acid?
1-(5-tert-butyl-2-methoxyphenyl)cyclopropane-1-carboxylic acid has a molecular weight of 248.32 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-2-methoxyphenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 82296346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).