2-bromo-5-[(E)-3-hydroxyprop-1-enyl]phenol

C9H9BrO2 — CID 12641157

IUPAC2-bromo-5-[(E)-3-hydroxyprop-1-enyl]phenol
SMILESOC/C=C/c1ccc(Br)c(O)c1
InChIInChI=1S/C9H9BrO2/c10-8-4-3-7(2-1-5-11)6-9(8)12/h1-4,6,11-12H,5H2/b2-1+
InChIKeyKAIHPGFCWSVHDH-OWOJBTEDSA-N
MW229.07 g/mol
LogP2.16
Rot. Bonds2

About 2-bromo-5-[(E)-3-hydroxyprop-1-enyl]phenol

2-bromo-5-[(E)-3-hydroxyprop-1-enyl]phenol (PubChem CID 12641157) has the molecular formula C9H9BrO2 and a molecular weight of 229.07 g/mol. Its IUPAC name is 2-bromo-5-[(E)-3-hydroxyprop-1-enyl]phenol.

Molecular Properties

Compound Name2-bromo-5-[(E)-3-hydroxyprop-1-enyl]phenol
PubChem CID12641157
Molecular FormulaC9H9BrO2
Molecular Weight229.07 g/mol
Exact Mass227.98
IUPAC Name2-bromo-5-[(E)-3-hydroxyprop-1-enyl]phenol
SMILESOC/C=C/c1ccc(Br)c(O)c1
InChIInChI=1S/C9H9BrO2/c10-8-4-3-7(2-1-5-11)6-9(8)12/h1-4,6,11-12H,5H2/b2-1+
InChIKeyKAIHPGFCWSVHDH-OWOJBTEDSA-N
XLogP2.16
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.07
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[(E)-3-hydroxyprop-1-enyl]phenol?
The IUPAC name of 2-bromo-5-[(E)-3-hydroxyprop-1-enyl]phenol (CID 12641157) is 2-bromo-5-[(E)-3-hydroxyprop-1-enyl]phenol.
What is the SMILES notation for 2-bromo-5-[(E)-3-hydroxyprop-1-enyl]phenol?
The canonical SMILES for 2-bromo-5-[(E)-3-hydroxyprop-1-enyl]phenol is OC/C=C/c1ccc(Br)c(O)c1.
What is the InChIKey of 2-bromo-5-[(E)-3-hydroxyprop-1-enyl]phenol?
The InChIKey is KAIHPGFCWSVHDH-OWOJBTEDSA-N. The full InChI is InChI=1S/C9H9BrO2/c10-8-4-3-7(2-1-5-11)6-9(8)12/h1-4,6,11-12H,5H2/b2-1+.
What are the key properties of 2-bromo-5-[(E)-3-hydroxyprop-1-enyl]phenol?
2-bromo-5-[(E)-3-hydroxyprop-1-enyl]phenol has a molecular weight of 229.07 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[(E)-3-hydroxyprop-1-enyl]phenol is sourced from PubChem (CID 12641157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).