3-(3-bromophenoxy)-2-cyclobutylpropan-1-ol

C13H17BrO2 — CID 117245651

IUPAC3-(3-bromophenoxy)-2-cyclobutylpropan-1-ol
SMILESOCC(COc1cccc(Br)c1)C1CCC1
InChIInChI=1S/C13H17BrO2/c14-12-5-2-6-13(7-12)16-9-11(8-15)10-3-1-4-10/h2,5-7,10-11,15H,1,3-4,8-9H2
InChIKeyLZVYMWWDWLKWJX-UHFFFAOYSA-N
MW285.18 g/mol
LogP3.24
Rot. Bonds5

About 3-(3-bromophenoxy)-2-cyclobutylpropan-1-ol

3-(3-bromophenoxy)-2-cyclobutylpropan-1-ol (PubChem CID 117245651) has the molecular formula C13H17BrO2 and a molecular weight of 285.18 g/mol. Its IUPAC name is 3-(3-bromophenoxy)-2-cyclobutylpropan-1-ol.

Molecular Properties

Compound Name3-(3-bromophenoxy)-2-cyclobutylpropan-1-ol
PubChem CID117245651
Molecular FormulaC13H17BrO2
Molecular Weight285.18 g/mol
Exact Mass284.04
IUPAC Name3-(3-bromophenoxy)-2-cyclobutylpropan-1-ol
SMILESOCC(COc1cccc(Br)c1)C1CCC1
InChIInChI=1S/C13H17BrO2/c14-12-5-2-6-13(7-12)16-9-11(8-15)10-3-1-4-10/h2,5-7,10-11,15H,1,3-4,8-9H2
InChIKeyLZVYMWWDWLKWJX-UHFFFAOYSA-N
XLogP3.24
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.18
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-cyclohexyl-3-hydroxypropoxy)phenol
CID 117245989
2-(3-bromophenoxy)-1-cyclobutylethanamine
CID 117245578
1-(3-bromophenoxy)-3-cyclopentylpropan-2-ol
CID 103160598
1-bromo-3-(4-chloro-3-cyclopentylbutoxy)benzene
CID 112570401
2-cyclohexyl-3-pyridin-3-yloxypropan-1-ol
CID 117246006
3-(2-bromophenoxy)-2-cyclopentylpropan-1-ol
CID 117245811
3-[2-(1,1-dioxothian-4-yl)-3-hydroxypropoxy]phenol
CID 117239292
2-[(3-bromophenoxy)methyl]butan-1-ol
CID 117241907
1-cyclobutyl-2-(3-methylphenoxy)ethanol
CID 117245576
2-(oxan-4-yl)-3-phenoxypropan-1-ol
CID 117239178
3-(3-methoxyphenoxy)-2-(1-propan-2-ylpiperidin-4-yl)propan-1-ol
CID 117239350
3-[3-hydroxy-2-(1-propan-2-ylpiperidin-4-yl)propoxy]phenol
CID 117239349

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenoxy)-2-cyclobutylpropan-1-ol?
The IUPAC name of 3-(3-bromophenoxy)-2-cyclobutylpropan-1-ol (CID 117245651) is 3-(3-bromophenoxy)-2-cyclobutylpropan-1-ol.
What is the SMILES notation for 3-(3-bromophenoxy)-2-cyclobutylpropan-1-ol?
The canonical SMILES for 3-(3-bromophenoxy)-2-cyclobutylpropan-1-ol is OCC(COc1cccc(Br)c1)C1CCC1.
What is the InChIKey of 3-(3-bromophenoxy)-2-cyclobutylpropan-1-ol?
The InChIKey is LZVYMWWDWLKWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrO2/c14-12-5-2-6-13(7-12)16-9-11(8-15)10-3-1-4-10/h2,5-7,10-11,15H,1,3-4,8-9H2.
What are the key properties of 3-(3-bromophenoxy)-2-cyclobutylpropan-1-ol?
3-(3-bromophenoxy)-2-cyclobutylpropan-1-ol has a molecular weight of 285.18 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenoxy)-2-cyclobutylpropan-1-ol is sourced from PubChem (CID 117245651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).