1-(4-bromo-2-chlorophenyl)-1-cyclopentylethanol

C13H16BrClO — CID 82778951

IUPAC1-(4-bromo-2-chlorophenyl)-1-cyclopentylethanol
SMILESCC(O)(c1ccc(Br)cc1Cl)C1CCCC1
InChIInChI=1S/C13H16BrClO/c1-13(16,9-4-2-3-5-9)11-7-6-10(14)8-12(11)15/h6-9,16H,2-5H2,1H3
InChIKeyWLWKHUUQJCRIEW-UHFFFAOYSA-N
MW303.63 g/mol
LogP4.50
Rot. Bonds2

About 1-(4-bromo-2-chlorophenyl)-1-cyclopentylethanol

1-(4-bromo-2-chlorophenyl)-1-cyclopentylethanol (PubChem CID 82778951) has the molecular formula C13H16BrClO and a molecular weight of 303.63 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-1-cyclopentylethanol.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-1-cyclopentylethanol
PubChem CID82778951
Molecular FormulaC13H16BrClO
Molecular Weight303.63 g/mol
Exact Mass302.01
IUPAC Name1-(4-bromo-2-chlorophenyl)-1-cyclopentylethanol
SMILESCC(O)(c1ccc(Br)cc1Cl)C1CCCC1
InChIInChI=1S/C13H16BrClO/c1-13(16,9-4-2-3-5-9)11-7-6-10(14)8-12(11)15/h6-9,16H,2-5H2,1H3
InChIKeyWLWKHUUQJCRIEW-UHFFFAOYSA-N
XLogP4.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.63
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-2-chlorophenyl)-1-cyclopropylethanol
CID 82779522
2-(4-bromo-2-chlorophenyl)-4-cyclopentylbutan-2-ol
CID 114191784
2-(4-bromo-2-chlorophenyl)propan-2-ol
CID 58764285
1-cyclohexyl-1-(2,5-dichlorophenyl)ethanol
CID 114794938
2-(4-bromo-2-chlorophenyl)-2-(cyclopentylamino)propanoic acid
CID 82773455
1-(4-bromophenyl)-1-cycloheptylethanol
CID 82928373
2-(4-bromo-2-chlorophenyl)-4-(oxolan-2-yl)butan-2-ol
CID 82779706
1-[1-(aminomethyl)cyclooctyl]-1-(4-bromo-2-chlorophenyl)ethanol
CID 82775957
2-(4-bromo-2-chlorophenyl)-2-methylpropanoic acid
CID 83745261
2-(4-bromo-2-chlorophenyl)-3-methylpentan-2-ol
CID 82779190
2-(4-bromo-2-chlorophenyl)-1-methoxypropan-2-ol
CID 82779920
2-(4-bromo-2-chlorophenyl)-5-(oxolan-2-yl)pentan-2-ol
CID 82779450

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-1-cyclopentylethanol?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-1-cyclopentylethanol (CID 82778951) is 1-(4-bromo-2-chlorophenyl)-1-cyclopentylethanol.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-1-cyclopentylethanol?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-1-cyclopentylethanol is CC(O)(c1ccc(Br)cc1Cl)C1CCCC1.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-1-cyclopentylethanol?
The InChIKey is WLWKHUUQJCRIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrClO/c1-13(16,9-4-2-3-5-9)11-7-6-10(14)8-12(11)15/h6-9,16H,2-5H2,1H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-1-cyclopentylethanol?
1-(4-bromo-2-chlorophenyl)-1-cyclopentylethanol has a molecular weight of 303.63 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-1-cyclopentylethanol is sourced from PubChem (CID 82778951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).