2-(4-bromophenyl)cyclobutan-1-ol

C10H11BrO — CID 126971923

IUPAC2-(4-bromophenyl)cyclobutan-1-ol
SMILESOC1CCC1c1ccc(Br)cc1
InChIInChI=1S/C10H11BrO/c11-8-3-1-7(2-4-8)9-5-6-10(9)12/h1-4,9-10,12H,5-6H2
InChIKeyCNXQOORFQANMMS-UHFFFAOYSA-N
MW227.10 g/mol
LogP2.69
Rot. Bonds1

About 2-(4-bromophenyl)cyclobutan-1-ol

2-(4-bromophenyl)cyclobutan-1-ol (PubChem CID 126971923) has the molecular formula C10H11BrO and a molecular weight of 227.10 g/mol. Its IUPAC name is 2-(4-bromophenyl)cyclobutan-1-ol.

Molecular Properties

Compound Name2-(4-bromophenyl)cyclobutan-1-ol
PubChem CID126971923
Molecular FormulaC10H11BrO
Molecular Weight227.10 g/mol
Exact Mass226.00
IUPAC Name2-(4-bromophenyl)cyclobutan-1-ol
SMILESOC1CCC1c1ccc(Br)cc1
InChIInChI=1S/C10H11BrO/c11-8-3-1-7(2-4-8)9-5-6-10(9)12/h1-4,9-10,12H,5-6H2
InChIKeyCNXQOORFQANMMS-UHFFFAOYSA-N
XLogP2.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.10
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)cyclobutan-1-ol?
The IUPAC name of 2-(4-bromophenyl)cyclobutan-1-ol (CID 126971923) is 2-(4-bromophenyl)cyclobutan-1-ol.
What is the SMILES notation for 2-(4-bromophenyl)cyclobutan-1-ol?
The canonical SMILES for 2-(4-bromophenyl)cyclobutan-1-ol is OC1CCC1c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)cyclobutan-1-ol?
The InChIKey is CNXQOORFQANMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO/c11-8-3-1-7(2-4-8)9-5-6-10(9)12/h1-4,9-10,12H,5-6H2.
What are the key properties of 2-(4-bromophenyl)cyclobutan-1-ol?
2-(4-bromophenyl)cyclobutan-1-ol has a molecular weight of 227.10 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)cyclobutan-1-ol is sourced from PubChem (CID 126971923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).