1-[2-(4-bromophenyl)ethyl]cyclopentan-1-ol

C13H17BrO — CID 115073756

IUPAC1-[2-(4-bromophenyl)ethyl]cyclopentan-1-ol
SMILESOC1(CCc2ccc(Br)cc2)CCCC1
InChIInChI=1S/C13H17BrO/c14-12-5-3-11(4-6-12)7-10-13(15)8-1-2-9-13/h3-6,15H,1-2,7-10H2
InChIKeyDGKICCNEJFOOOU-UHFFFAOYSA-N
MW269.18 g/mol
LogP3.69
Rot. Bonds3

About 1-[2-(4-bromophenyl)ethyl]cyclopentan-1-ol

1-[2-(4-bromophenyl)ethyl]cyclopentan-1-ol (PubChem CID 115073756) has the molecular formula C13H17BrO and a molecular weight of 269.18 g/mol. Its IUPAC name is 1-[2-(4-bromophenyl)ethyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[2-(4-bromophenyl)ethyl]cyclopentan-1-ol
PubChem CID115073756
Molecular FormulaC13H17BrO
Molecular Weight269.18 g/mol
Exact Mass268.05
IUPAC Name1-[2-(4-bromophenyl)ethyl]cyclopentan-1-ol
SMILESOC1(CCc2ccc(Br)cc2)CCCC1
InChIInChI=1S/C13H17BrO/c14-12-5-3-11(4-6-12)7-10-13(15)8-1-2-9-13/h3-6,15H,1-2,7-10H2
InChIKeyDGKICCNEJFOOOU-UHFFFAOYSA-N
XLogP3.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.18
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromophenyl)ethyl]cyclopentan-1-ol?
The IUPAC name of 1-[2-(4-bromophenyl)ethyl]cyclopentan-1-ol (CID 115073756) is 1-[2-(4-bromophenyl)ethyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[2-(4-bromophenyl)ethyl]cyclopentan-1-ol?
The canonical SMILES for 1-[2-(4-bromophenyl)ethyl]cyclopentan-1-ol is OC1(CCc2ccc(Br)cc2)CCCC1.
What is the InChIKey of 1-[2-(4-bromophenyl)ethyl]cyclopentan-1-ol?
The InChIKey is DGKICCNEJFOOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrO/c14-12-5-3-11(4-6-12)7-10-13(15)8-1-2-9-13/h3-6,15H,1-2,7-10H2.
What are the key properties of 1-[2-(4-bromophenyl)ethyl]cyclopentan-1-ol?
1-[2-(4-bromophenyl)ethyl]cyclopentan-1-ol has a molecular weight of 269.18 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromophenyl)ethyl]cyclopentan-1-ol is sourced from PubChem (CID 115073756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).