3-(4-bromophenyl)cyclobutan-1-ol

C10H11BrO — CID 50990647

IUPAC3-(4-bromophenyl)cyclobutan-1-ol
SMILESOC1CC(c2ccc(Br)cc2)C1
InChIInChI=1S/C10H11BrO/c11-9-3-1-7(2-4-9)8-5-10(12)6-8/h1-4,8,10,12H,5-6H2
InChIKeyDUZJORQWSPNAKY-UHFFFAOYSA-N
MW227.10 g/mol
LogP2.69
Rot. Bonds1

About 3-(4-bromophenyl)cyclobutan-1-ol

3-(4-bromophenyl)cyclobutan-1-ol (PubChem CID 50990647) has the molecular formula C10H11BrO and a molecular weight of 227.10 g/mol. Its IUPAC name is 3-(4-bromophenyl)cyclobutan-1-ol.

Molecular Properties

Compound Name3-(4-bromophenyl)cyclobutan-1-ol
PubChem CID50990647
Molecular FormulaC10H11BrO
Molecular Weight227.10 g/mol
Exact Mass226.00
IUPAC Name3-(4-bromophenyl)cyclobutan-1-ol
SMILESOC1CC(c2ccc(Br)cc2)C1
InChIInChI=1S/C10H11BrO/c11-9-3-1-7(2-4-9)8-5-10(12)6-8/h1-4,8,10,12H,5-6H2
InChIKeyDUZJORQWSPNAKY-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 3-(4-bromophenyl)cyclobutan-1-ol?
The IUPAC name of 3-(4-bromophenyl)cyclobutan-1-ol (CID 50990647) is 3-(4-bromophenyl)cyclobutan-1-ol.
What is the SMILES notation for 3-(4-bromophenyl)cyclobutan-1-ol?
The canonical SMILES for 3-(4-bromophenyl)cyclobutan-1-ol is OC1CC(c2ccc(Br)cc2)C1.
What is the InChIKey of 3-(4-bromophenyl)cyclobutan-1-ol?
The InChIKey is DUZJORQWSPNAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO/c11-9-3-1-7(2-4-9)8-5-10(12)6-8/h1-4,8,10,12H,5-6H2.
What are the key properties of 3-(4-bromophenyl)cyclobutan-1-ol?
3-(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 3-(4-bromophenyl)cyclobutan-1-ol is sourced from PubChem (CID 50990647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).