1-(3-bromo-4-cyclobutyloxyphenyl)cyclopropane-1-carboxylic acid

C14H15BrO3 — CID 117495952

IUPAC1-(3-bromo-4-cyclobutyloxyphenyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc(OC3CCC3)c(Br)c2)CC1
InChIInChI=1S/C14H15BrO3/c15-11-8-9(14(6-7-14)13(16)17)4-5-12(11)18-10-2-1-3-10/h4-5,8,10H,1-3,6-7H2,(H,16,17)
InChIKeyVBVLZRUWKDGBPC-UHFFFAOYSA-N
MW311.17 g/mol
LogP3.50
Rot. Bonds4

About 1-(3-bromo-4-cyclobutyloxyphenyl)cyclopropane-1-carboxylic acid

1-(3-bromo-4-cyclobutyloxyphenyl)cyclopropane-1-carboxylic acid (PubChem CID 117495952) has the molecular formula C14H15BrO3 and a molecular weight of 311.17 g/mol. Its IUPAC name is 1-(3-bromo-4-cyclobutyloxyphenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-bromo-4-cyclobutyloxyphenyl)cyclopropane-1-carboxylic acid
PubChem CID117495952
Molecular FormulaC14H15BrO3
Molecular Weight311.17 g/mol
Exact Mass310.02
IUPAC Name1-(3-bromo-4-cyclobutyloxyphenyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc(OC3CCC3)c(Br)c2)CC1
InChIInChI=1S/C14H15BrO3/c15-11-8-9(14(6-7-14)13(16)17)4-5-12(11)18-10-2-1-3-10/h4-5,8,10H,1-3,6-7H2,(H,16,17)
InChIKeyVBVLZRUWKDGBPC-UHFFFAOYSA-N
XLogP3.50
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.17
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-bromo-4-cyclobutyloxyphenyl)cyclopropane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-cyclobutyloxyphenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(3-bromo-4-cyclobutyloxyphenyl)cyclopropane-1-carboxylic acid (CID 117495952) is 1-(3-bromo-4-cyclobutyloxyphenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(3-bromo-4-cyclobutyloxyphenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(3-bromo-4-cyclobutyloxyphenyl)cyclopropane-1-carboxylic acid is O=C(O)C1(c2ccc(OC3CCC3)c(Br)c2)CC1.
What is the InChIKey of 1-(3-bromo-4-cyclobutyloxyphenyl)cyclopropane-1-carboxylic acid?
The InChIKey is VBVLZRUWKDGBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrO3/c15-11-8-9(14(6-7-14)13(16)17)4-5-12(11)18-10-2-1-3-10/h4-5,8,10H,1-3,6-7H2,(H,16,17).
What are the key properties of 1-(3-bromo-4-cyclobutyloxyphenyl)cyclopropane-1-carboxylic acid?
1-(3-bromo-4-cyclobutyloxyphenyl)cyclopropane-1-carboxylic acid has a molecular weight of 311.17 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-cyclobutyloxyphenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117495952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).