2-bromo-5-(1-hydroxycyclopropyl)phenol

C9H9BrO2 — CID 84792504

IUPAC2-bromo-5-(1-hydroxycyclopropyl)phenol
SMILESOc1cc(C2(O)CC2)ccc1Br
InChIInChI=1S/C9H9BrO2/c10-7-2-1-6(5-8(7)11)9(12)3-4-9/h1-2,5,11-12H,3-4H2
InChIKeyQMZJSWYSUCAQEP-UHFFFAOYSA-N
MW229.07 g/mol
LogP2.14
Rot. Bonds1

About 2-bromo-5-(1-hydroxycyclopropyl)phenol

2-bromo-5-(1-hydroxycyclopropyl)phenol (PubChem CID 84792504) has the molecular formula C9H9BrO2 and a molecular weight of 229.07 g/mol. Its IUPAC name is 2-bromo-5-(1-hydroxycyclopropyl)phenol.

Molecular Properties

Compound Name2-bromo-5-(1-hydroxycyclopropyl)phenol
PubChem CID84792504
Molecular FormulaC9H9BrO2
Molecular Weight229.07 g/mol
Exact Mass227.98
IUPAC Name2-bromo-5-(1-hydroxycyclopropyl)phenol
SMILESOc1cc(C2(O)CC2)ccc1Br
InChIInChI=1S/C9H9BrO2/c10-7-2-1-6(5-8(7)11)9(12)3-4-9/h1-2,5,11-12H,3-4H2
InChIKeyQMZJSWYSUCAQEP-UHFFFAOYSA-N
XLogP2.14
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.07
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(1-hydroxycyclopropyl)phenol?
The IUPAC name of 2-bromo-5-(1-hydroxycyclopropyl)phenol (CID 84792504) is 2-bromo-5-(1-hydroxycyclopropyl)phenol.
What is the SMILES notation for 2-bromo-5-(1-hydroxycyclopropyl)phenol?
The canonical SMILES for 2-bromo-5-(1-hydroxycyclopropyl)phenol is Oc1cc(C2(O)CC2)ccc1Br.
What is the InChIKey of 2-bromo-5-(1-hydroxycyclopropyl)phenol?
The InChIKey is QMZJSWYSUCAQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrO2/c10-7-2-1-6(5-8(7)11)9(12)3-4-9/h1-2,5,11-12H,3-4H2.
What are the key properties of 2-bromo-5-(1-hydroxycyclopropyl)phenol?
2-bromo-5-(1-hydroxycyclopropyl)phenol has a molecular weight of 229.07 g/mol, XLogP of 2.14, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(1-hydroxycyclopropyl)phenol is sourced from PubChem (CID 84792504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).