1-(5-bromo-2-propan-2-ylphenyl)cyclopropan-1-ol

C12H15BrO — CID 84804882

IUPAC1-(5-bromo-2-propan-2-ylphenyl)cyclopropan-1-ol
SMILESCC(C)c1ccc(Br)cc1C1(O)CC1
InChIInChI=1S/C12H15BrO/c1-8(2)10-4-3-9(13)7-11(10)12(14)5-6-12/h3-4,7-8,14H,5-6H2,1-2H3
InChIKeySNWYDGOVWAJALZ-UHFFFAOYSA-N
MW255.15 g/mol
LogP3.55
Rot. Bonds2

About 1-(5-bromo-2-propan-2-ylphenyl)cyclopropan-1-ol

1-(5-bromo-2-propan-2-ylphenyl)cyclopropan-1-ol (PubChem CID 84804882) has the molecular formula C12H15BrO and a molecular weight of 255.15 g/mol. Its IUPAC name is 1-(5-bromo-2-propan-2-ylphenyl)cyclopropan-1-ol.

Molecular Properties

Compound Name1-(5-bromo-2-propan-2-ylphenyl)cyclopropan-1-ol
PubChem CID84804882
Molecular FormulaC12H15BrO
Molecular Weight255.15 g/mol
Exact Mass254.03
IUPAC Name1-(5-bromo-2-propan-2-ylphenyl)cyclopropan-1-ol
SMILESCC(C)c1ccc(Br)cc1C1(O)CC1
InChIInChI=1S/C12H15BrO/c1-8(2)10-4-3-9(13)7-11(10)12(14)5-6-12/h3-4,7-8,14H,5-6H2,1-2H3
InChIKeySNWYDGOVWAJALZ-UHFFFAOYSA-N
XLogP3.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.15
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(5-bromo-2-propan-2-ylphenyl)cyclopropan-1-ol 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-(5-bromo-2-propan-2-ylphenyl)cyclopropan-1-ol?
The IUPAC name of 1-(5-bromo-2-propan-2-ylphenyl)cyclopropan-1-ol (CID 84804882) is 1-(5-bromo-2-propan-2-ylphenyl)cyclopropan-1-ol.
What is the SMILES notation for 1-(5-bromo-2-propan-2-ylphenyl)cyclopropan-1-ol?
The canonical SMILES for 1-(5-bromo-2-propan-2-ylphenyl)cyclopropan-1-ol is CC(C)c1ccc(Br)cc1C1(O)CC1.
What is the InChIKey of 1-(5-bromo-2-propan-2-ylphenyl)cyclopropan-1-ol?
The InChIKey is SNWYDGOVWAJALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO/c1-8(2)10-4-3-9(13)7-11(10)12(14)5-6-12/h3-4,7-8,14H,5-6H2,1-2H3.
What are the key properties of 1-(5-bromo-2-propan-2-ylphenyl)cyclopropan-1-ol?
1-(5-bromo-2-propan-2-ylphenyl)cyclopropan-1-ol has a molecular weight of 255.15 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-propan-2-ylphenyl)cyclopropan-1-ol is sourced from PubChem (CID 84804882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).