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

C9H8BrClO2 — CID 84807228

IUPAC3-bromo-5-chloro-2-(1-hydroxycyclopropyl)phenol
SMILESOc1cc(Cl)cc(Br)c1C1(O)CC1
InChIInChI=1S/C9H8BrClO2/c10-6-3-5(11)4-7(12)8(6)9(13)1-2-9/h3-4,12-13H,1-2H2
InChIKeyMNWMMESKHKWMPG-UHFFFAOYSA-N
MW263.52 g/mol
LogP2.79
Rot. Bonds1

About 3-bromo-5-chloro-2-(1-hydroxycyclopropyl)phenol

3-bromo-5-chloro-2-(1-hydroxycyclopropyl)phenol (PubChem CID 84807228) has the molecular formula C9H8BrClO2 and a molecular weight of 263.52 g/mol. Its IUPAC name is 3-bromo-5-chloro-2-(1-hydroxycyclopropyl)phenol.

Molecular Properties

Compound Name3-bromo-5-chloro-2-(1-hydroxycyclopropyl)phenol
PubChem CID84807228
Molecular FormulaC9H8BrClO2
Molecular Weight263.52 g/mol
Exact Mass261.94
IUPAC Name3-bromo-5-chloro-2-(1-hydroxycyclopropyl)phenol
SMILESOc1cc(Cl)cc(Br)c1C1(O)CC1
InChIInChI=1S/C9H8BrClO2/c10-6-3-5(11)4-7(12)8(6)9(13)1-2-9/h3-4,12-13H,1-2H2
InChIKeyMNWMMESKHKWMPG-UHFFFAOYSA-N
XLogP2.79
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.52
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-2-(1-hydroxycyclopropyl)phenol?
The IUPAC name of 3-bromo-5-chloro-2-(1-hydroxycyclopropyl)phenol (CID 84807228) is 3-bromo-5-chloro-2-(1-hydroxycyclopropyl)phenol.
What is the SMILES notation for 3-bromo-5-chloro-2-(1-hydroxycyclopropyl)phenol?
The canonical SMILES for 3-bromo-5-chloro-2-(1-hydroxycyclopropyl)phenol is Oc1cc(Cl)cc(Br)c1C1(O)CC1.
What is the InChIKey of 3-bromo-5-chloro-2-(1-hydroxycyclopropyl)phenol?
The InChIKey is MNWMMESKHKWMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClO2/c10-6-3-5(11)4-7(12)8(6)9(13)1-2-9/h3-4,12-13H,1-2H2.
What are the key properties of 3-bromo-5-chloro-2-(1-hydroxycyclopropyl)phenol?
3-bromo-5-chloro-2-(1-hydroxycyclopropyl)phenol has a molecular weight of 263.52 g/mol, XLogP of 2.79, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-2-(1-hydroxycyclopropyl)phenol is sourced from PubChem (CID 84807228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).