2-(3-bromo-4-methylphenyl)-1-cyclopropylethanol

C12H15BrO — CID 130608339

IUPAC2-(3-bromo-4-methylphenyl)-1-cyclopropylethanol
SMILESCc1ccc(CC(O)C2CC2)cc1Br
InChIInChI=1S/C12H15BrO/c1-8-2-3-9(6-11(8)13)7-12(14)10-4-5-10/h2-3,6,10,12,14H,4-5,7H2,1H3
InChIKeyVTKXTLAQWASVOE-UHFFFAOYSA-N
MW255.15 g/mol
LogP3.07
Rot. Bonds3

About 2-(3-bromo-4-methylphenyl)-1-cyclopropylethanol

2-(3-bromo-4-methylphenyl)-1-cyclopropylethanol (PubChem CID 130608339) has the molecular formula C12H15BrO and a molecular weight of 255.15 g/mol. Its IUPAC name is 2-(3-bromo-4-methylphenyl)-1-cyclopropylethanol.

Molecular Properties

Compound Name2-(3-bromo-4-methylphenyl)-1-cyclopropylethanol
PubChem CID130608339
Molecular FormulaC12H15BrO
Molecular Weight255.15 g/mol
Exact Mass254.03
IUPAC Name2-(3-bromo-4-methylphenyl)-1-cyclopropylethanol
SMILESCc1ccc(CC(O)C2CC2)cc1Br
InChIInChI=1S/C12H15BrO/c1-8-2-3-9(6-11(8)13)7-12(14)10-4-5-10/h2-3,6,10,12,14H,4-5,7H2,1H3
InChIKeyVTKXTLAQWASVOE-UHFFFAOYSA-N
XLogP3.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.15
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methylphenyl)-1-cyclopropylethanol?
The IUPAC name of 2-(3-bromo-4-methylphenyl)-1-cyclopropylethanol (CID 130608339) is 2-(3-bromo-4-methylphenyl)-1-cyclopropylethanol.
What is the SMILES notation for 2-(3-bromo-4-methylphenyl)-1-cyclopropylethanol?
The canonical SMILES for 2-(3-bromo-4-methylphenyl)-1-cyclopropylethanol is Cc1ccc(CC(O)C2CC2)cc1Br.
What is the InChIKey of 2-(3-bromo-4-methylphenyl)-1-cyclopropylethanol?
The InChIKey is VTKXTLAQWASVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO/c1-8-2-3-9(6-11(8)13)7-12(14)10-4-5-10/h2-3,6,10,12,14H,4-5,7H2,1H3.
What are the key properties of 2-(3-bromo-4-methylphenyl)-1-cyclopropylethanol?
2-(3-bromo-4-methylphenyl)-1-cyclopropylethanol has a molecular weight of 255.15 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methylphenyl)-1-cyclopropylethanol is sourced from PubChem (CID 130608339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).