1-(3-bromophenyl)-2-cyclobutylethanol

C12H15BrO — CID 65457872

IUPAC1-(3-bromophenyl)-2-cyclobutylethanol
SMILESOC(CC1CCC1)c1cccc(Br)c1
InChIInChI=1S/C12H15BrO/c13-11-6-2-5-10(8-11)12(14)7-9-3-1-4-9/h2,5-6,8-9,12,14H,1,3-4,7H2
InChIKeyDTIVOGRHMLVAMM-UHFFFAOYSA-N
MW255.15 g/mol
LogP3.67
Rot. Bonds3

About 1-(3-bromophenyl)-2-cyclobutylethanol

1-(3-bromophenyl)-2-cyclobutylethanol (PubChem CID 65457872) has the molecular formula C12H15BrO and a molecular weight of 255.15 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-cyclobutylethanol.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-cyclobutylethanol
PubChem CID65457872
Molecular FormulaC12H15BrO
Molecular Weight255.15 g/mol
Exact Mass254.03
IUPAC Name1-(3-bromophenyl)-2-cyclobutylethanol
SMILESOC(CC1CCC1)c1cccc(Br)c1
InChIInChI=1S/C12H15BrO/c13-11-6-2-5-10(8-11)12(14)7-9-3-1-4-9/h2,5-6,8-9,12,14H,1,3-4,7H2
InChIKeyDTIVOGRHMLVAMM-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromophenyl)-3-cyclopentylpropan-1-ol
CID 79443530
1-(3-bromophenyl)-2-pyrrolidin-2-ylethanol
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[1-(3-bromophenyl)-2-cyclohexylethyl]hydrazine
CID 105197948
2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(3-bromophenyl)ethanol
CID 102894010
2-cyclopentyl-1-phenylethanol
CID 15629098
1-(3-bromo-4-fluorophenyl)-2-cyclobutylethanol
CID 82809898
1-(4-bromo-3-methylphenyl)-2-cyclohexylethanol
CID 81447995
2-(2-bicyclo[2.2.1]heptanyl)-1-(3-bromophenyl)ethanol
CID 79559401
1-(3-bromophenyl)-3-[cyclohexylmethyl(methyl)amino]propan-1-ol
CID 62618495
1-(3-bromophenyl)-2-(4-ethylpiperidin-2-yl)ethanol
CID 114425940
1-(3-bromophenyl)-2-[[(1R)-1-cycloheptylethyl]amino]ethanol
CID 81393437
2-(3-bromophenyl)-N-(cyclobutylmethyl)propan-1-amine
CID 115876148

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-cyclobutylethanol?
The IUPAC name of 1-(3-bromophenyl)-2-cyclobutylethanol (CID 65457872) is 1-(3-bromophenyl)-2-cyclobutylethanol.
What is the SMILES notation for 1-(3-bromophenyl)-2-cyclobutylethanol?
The canonical SMILES for 1-(3-bromophenyl)-2-cyclobutylethanol is OC(CC1CCC1)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-cyclobutylethanol?
The InChIKey is DTIVOGRHMLVAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO/c13-11-6-2-5-10(8-11)12(14)7-9-3-1-4-9/h2,5-6,8-9,12,14H,1,3-4,7H2.
What are the key properties of 1-(3-bromophenyl)-2-cyclobutylethanol?
1-(3-bromophenyl)-2-cyclobutylethanol has a molecular weight of 255.15 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-cyclobutylethanol is sourced from PubChem (CID 65457872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).