1-[(2-bromophenyl)methyl]cyclobutan-1-ol

C11H13BrO — CID 79081038

IUPAC1-[(2-bromophenyl)methyl]cyclobutan-1-ol
SMILESOC1(Cc2ccccc2Br)CCC1
InChIInChI=1S/C11H13BrO/c12-10-5-2-1-4-9(10)8-11(13)6-3-7-11/h1-2,4-5,13H,3,6-8H2
InChIKeyRMFDNCLCAHLZSJ-UHFFFAOYSA-N
MW241.13 g/mol
LogP2.91
Rot. Bonds2

About 1-[(2-bromophenyl)methyl]cyclobutan-1-ol

1-[(2-bromophenyl)methyl]cyclobutan-1-ol (PubChem CID 79081038) has the molecular formula C11H13BrO and a molecular weight of 241.13 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[(2-bromophenyl)methyl]cyclobutan-1-ol
PubChem CID79081038
Molecular FormulaC11H13BrO
Molecular Weight241.13 g/mol
Exact Mass240.01
IUPAC Name1-[(2-bromophenyl)methyl]cyclobutan-1-ol
SMILESOC1(Cc2ccccc2Br)CCC1
InChIInChI=1S/C11H13BrO/c12-10-5-2-1-4-9(10)8-11(13)6-3-7-11/h1-2,4-5,13H,3,6-8H2
InChIKeyRMFDNCLCAHLZSJ-UHFFFAOYSA-N
XLogP2.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.13
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromophenyl)methyl]cyclobutan-1-ol?
The IUPAC name of 1-[(2-bromophenyl)methyl]cyclobutan-1-ol (CID 79081038) is 1-[(2-bromophenyl)methyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[(2-bromophenyl)methyl]cyclobutan-1-ol?
The canonical SMILES for 1-[(2-bromophenyl)methyl]cyclobutan-1-ol is OC1(Cc2ccccc2Br)CCC1.
What is the InChIKey of 1-[(2-bromophenyl)methyl]cyclobutan-1-ol?
The InChIKey is RMFDNCLCAHLZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO/c12-10-5-2-1-4-9(10)8-11(13)6-3-7-11/h1-2,4-5,13H,3,6-8H2.
What are the key properties of 1-[(2-bromophenyl)methyl]cyclobutan-1-ol?
1-[(2-bromophenyl)methyl]cyclobutan-1-ol has a molecular weight of 241.13 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromophenyl)methyl]cyclobutan-1-ol is sourced from PubChem (CID 79081038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).