2-[1-(2-bromophenyl)cyclobutyl]ethanol

C12H15BrO — CID 83693368

IUPAC2-[1-(2-bromophenyl)cyclobutyl]ethanol
SMILESOCCC1(c2ccccc2Br)CCC1
InChIInChI=1S/C12H15BrO/c13-11-5-2-1-4-10(11)12(8-9-14)6-3-7-12/h1-2,4-5,14H,3,6-9H2
InChIKeyFDWPGIKIRXHVCC-UHFFFAOYSA-N
MW255.15 g/mol
LogP3.25
Rot. Bonds3

About 2-[1-(2-bromophenyl)cyclobutyl]ethanol

2-[1-(2-bromophenyl)cyclobutyl]ethanol (PubChem CID 83693368) has the molecular formula C12H15BrO and a molecular weight of 255.15 g/mol. Its IUPAC name is 2-[1-(2-bromophenyl)cyclobutyl]ethanol.

Molecular Properties

Compound Name2-[1-(2-bromophenyl)cyclobutyl]ethanol
PubChem CID83693368
Molecular FormulaC12H15BrO
Molecular Weight255.15 g/mol
Exact Mass254.03
IUPAC Name2-[1-(2-bromophenyl)cyclobutyl]ethanol
SMILESOCCC1(c2ccccc2Br)CCC1
InChIInChI=1S/C12H15BrO/c13-11-5-2-1-4-10(11)12(8-9-14)6-3-7-12/h1-2,4-5,14H,3,6-9H2
InChIKeyFDWPGIKIRXHVCC-UHFFFAOYSA-N
XLogP3.25
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 ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-bromophenyl)cyclobutyl]ethanol?
The IUPAC name of 2-[1-(2-bromophenyl)cyclobutyl]ethanol (CID 83693368) is 2-[1-(2-bromophenyl)cyclobutyl]ethanol.
What is the SMILES notation for 2-[1-(2-bromophenyl)cyclobutyl]ethanol?
The canonical SMILES for 2-[1-(2-bromophenyl)cyclobutyl]ethanol is OCCC1(c2ccccc2Br)CCC1.
What is the InChIKey of 2-[1-(2-bromophenyl)cyclobutyl]ethanol?
The InChIKey is FDWPGIKIRXHVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO/c13-11-5-2-1-4-10(11)12(8-9-14)6-3-7-12/h1-2,4-5,14H,3,6-9H2.
What are the key properties of 2-[1-(2-bromophenyl)cyclobutyl]ethanol?
2-[1-(2-bromophenyl)cyclobutyl]ethanol has a molecular weight of 255.15 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-bromophenyl)cyclobutyl]ethanol is sourced from PubChem (CID 83693368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).