2-(2,3-dibromocyclopropyl)phenol

C9H8Br2O — CID 21403439

IUPAC2-(2,3-dibromocyclopropyl)phenol
SMILESOc1ccccc1C1C(Br)C1Br
InChIInChI=1S/C9H8Br2O/c10-8-7(9(8)11)5-3-1-2-4-6(5)12/h1-4,7-9,12H
InChIKeyACMICPUNCFTURZ-UHFFFAOYSA-N
MW291.97 g/mol
LogP3.02
Rot. Bonds1

About 2-(2,3-dibromocyclopropyl)phenol

2-(2,3-dibromocyclopropyl)phenol (PubChem CID 21403439) has the molecular formula C9H8Br2O and a molecular weight of 291.97 g/mol. Its IUPAC name is 2-(2,3-dibromocyclopropyl)phenol.

Molecular Properties

Compound Name2-(2,3-dibromocyclopropyl)phenol
PubChem CID21403439
Molecular FormulaC9H8Br2O
Molecular Weight291.97 g/mol
Exact Mass289.89
IUPAC Name2-(2,3-dibromocyclopropyl)phenol
SMILESOc1ccccc1C1C(Br)C1Br
InChIInChI=1S/C9H8Br2O/c10-8-7(9(8)11)5-3-1-2-4-6(5)12/h1-4,7-9,12H
InChIKeyACMICPUNCFTURZ-UHFFFAOYSA-N
XLogP3.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.97
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(2,3-dichlorocyclopropyl)phenol
CID 69048040
(1R,2S,3S,4R)-2,3-dibromo-1,2,3,4-tetrahydronaphthalene-1,4-diol
CID 12740385
2-(dioxiran-3-yl)phenol
CID 87283547
2,5-bis(2-hydroxyphenyl)cyclopentan-1-one
CID 18760303
heptacyclo[16.6.0.02,9.03,8.010,17.011,16.019,24]tetracosa-3,5,7,11,13,15,19,21,23-nonaene
CID 101073246
2-[3-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]phenol
CID 117194095
(1R,8S,9R,10R)-9,10-dibromo-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 11231966
(1R,8S,10R,11R,12R)-9,9,10,11,12-pentabromotricyclo[6.2.2.02,7]dodeca-2,4,6-triene
CID 10370378
(1R,8S,10S,11S,12S)-9,9,10,11,12-pentabromotricyclo[6.2.2.02,7]dodeca-2,4,6-triene
CID 10437604
(1S,8R,10S,11R,12S)-9,9,10,11,12-pentabromotricyclo[6.2.2.02,7]dodeca-2,4,6-triene
CID 139065287
2-cyclododecylphenol
CID 22381643
2-[(1S,2R)-2-methylcyclopropyl]phenol
CID 176896077

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dibromocyclopropyl)phenol?
The IUPAC name of 2-(2,3-dibromocyclopropyl)phenol (CID 21403439) is 2-(2,3-dibromocyclopropyl)phenol.
What is the SMILES notation for 2-(2,3-dibromocyclopropyl)phenol?
The canonical SMILES for 2-(2,3-dibromocyclopropyl)phenol is Oc1ccccc1C1C(Br)C1Br.
What is the InChIKey of 2-(2,3-dibromocyclopropyl)phenol?
The InChIKey is ACMICPUNCFTURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Br2O/c10-8-7(9(8)11)5-3-1-2-4-6(5)12/h1-4,7-9,12H.
What are the key properties of 2-(2,3-dibromocyclopropyl)phenol?
2-(2,3-dibromocyclopropyl)phenol has a molecular weight of 291.97 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dibromocyclopropyl)phenol is sourced from PubChem (CID 21403439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).