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

C10H11BrO — CID 18461571

IUPAC1-(3-bromophenyl)cyclobutan-1-ol
SMILESOC1(c2cccc(Br)c2)CCC1
InChIInChI=1S/C10H11BrO/c11-9-4-1-3-8(7-9)10(12)5-2-6-10/h1,3-4,7,12H,2,5-6H2
InChIKeyABDSPZIVLQFVPF-UHFFFAOYSA-N
MW227.10 g/mol
LogP2.82
Rot. Bonds1

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

1-(3-bromophenyl)cyclobutan-1-ol (PubChem CID 18461571) has the molecular formula C10H11BrO and a molecular weight of 227.10 g/mol. Its IUPAC name is 1-(3-bromophenyl)cyclobutan-1-ol.

Molecular Properties

Compound Name1-(3-bromophenyl)cyclobutan-1-ol
PubChem CID18461571
Molecular FormulaC10H11BrO
Molecular Weight227.10 g/mol
Exact Mass226.00
IUPAC Name1-(3-bromophenyl)cyclobutan-1-ol
SMILESOC1(c2cccc(Br)c2)CCC1
InChIInChI=1S/C10H11BrO/c11-9-4-1-3-8(7-9)10(12)5-2-6-10/h1,3-4,7,12H,2,5-6H2
InChIKeyABDSPZIVLQFVPF-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)cyclobutan-1-ol?
The IUPAC name of 1-(3-bromophenyl)cyclobutan-1-ol (CID 18461571) is 1-(3-bromophenyl)cyclobutan-1-ol.
What is the SMILES notation for 1-(3-bromophenyl)cyclobutan-1-ol?
The canonical SMILES for 1-(3-bromophenyl)cyclobutan-1-ol is OC1(c2cccc(Br)c2)CCC1.
What is the InChIKey of 1-(3-bromophenyl)cyclobutan-1-ol?
The InChIKey is ABDSPZIVLQFVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO/c11-9-4-1-3-8(7-9)10(12)5-2-6-10/h1,3-4,7,12H,2,5-6H2.
What are the key properties of 1-(3-bromophenyl)cyclobutan-1-ol?
1-(3-bromophenyl)cyclobutan-1-ol has a molecular weight of 227.10 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)cyclobutan-1-ol is sourced from PubChem (CID 18461571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).