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

C13H15BrO — CID 58034308

IUPAC3-(4-bromophenyl)-1-cyclopropylcyclobutan-1-ol
SMILESOC1(C2CC2)CC(c2ccc(Br)cc2)C1
InChIInChI=1S/C13H15BrO/c14-12-5-1-9(2-6-12)10-7-13(15,8-10)11-3-4-11/h1-2,5-6,10-11,15H,3-4,7-8H2
InChIKeySTSITZHXWICCMP-UHFFFAOYSA-N
MW267.17 g/mol
LogP3.47
Rot. Bonds2

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

3-(4-bromophenyl)-1-cyclopropylcyclobutan-1-ol (PubChem CID 58034308) has the molecular formula C13H15BrO and a molecular weight of 267.17 g/mol. Its IUPAC name is 3-(4-bromophenyl)-1-cyclopropylcyclobutan-1-ol.

Molecular Properties

Compound Name3-(4-bromophenyl)-1-cyclopropylcyclobutan-1-ol
PubChem CID58034308
Molecular FormulaC13H15BrO
Molecular Weight267.17 g/mol
Exact Mass266.03
IUPAC Name3-(4-bromophenyl)-1-cyclopropylcyclobutan-1-ol
SMILESOC1(C2CC2)CC(c2ccc(Br)cc2)C1
InChIInChI=1S/C13H15BrO/c14-12-5-1-9(2-6-12)10-7-13(15,8-10)11-3-4-11/h1-2,5-6,10-11,15H,3-4,7-8H2
InChIKeySTSITZHXWICCMP-UHFFFAOYSA-N
XLogP3.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-1-cyclopropylcyclobutan-1-ol?
The IUPAC name of 3-(4-bromophenyl)-1-cyclopropylcyclobutan-1-ol (CID 58034308) is 3-(4-bromophenyl)-1-cyclopropylcyclobutan-1-ol.
What is the SMILES notation for 3-(4-bromophenyl)-1-cyclopropylcyclobutan-1-ol?
The canonical SMILES for 3-(4-bromophenyl)-1-cyclopropylcyclobutan-1-ol is OC1(C2CC2)CC(c2ccc(Br)cc2)C1.
What is the InChIKey of 3-(4-bromophenyl)-1-cyclopropylcyclobutan-1-ol?
The InChIKey is STSITZHXWICCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrO/c14-12-5-1-9(2-6-12)10-7-13(15,8-10)11-3-4-11/h1-2,5-6,10-11,15H,3-4,7-8H2.
What are the key properties of 3-(4-bromophenyl)-1-cyclopropylcyclobutan-1-ol?
3-(4-bromophenyl)-1-cyclopropylcyclobutan-1-ol has a molecular weight of 267.17 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-1-cyclopropylcyclobutan-1-ol is sourced from PubChem (CID 58034308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).