4-bromo-2-chloro-6-(1-hydroxyprop-2-enyl)phenol

C9H8BrClO2 — CID 90190141

IUPAC4-bromo-2-chloro-6-(1-hydroxyprop-2-enyl)phenol
SMILESC=CC(O)c1cc(Br)cc(Cl)c1O
InChIInChI=1S/C9H8BrClO2/c1-2-8(12)6-3-5(10)4-7(11)9(6)13/h2-4,8,12-13H,1H2
InChIKeyPNJHHUILNLGIAV-UHFFFAOYSA-N
MW263.52 g/mol
LogP3.03
Rot. Bonds2

About 4-bromo-2-chloro-6-(1-hydroxyprop-2-enyl)phenol

4-bromo-2-chloro-6-(1-hydroxyprop-2-enyl)phenol (PubChem CID 90190141) has the molecular formula C9H8BrClO2 and a molecular weight of 263.52 g/mol. Its IUPAC name is 4-bromo-2-chloro-6-(1-hydroxyprop-2-enyl)phenol.

Molecular Properties

Compound Name4-bromo-2-chloro-6-(1-hydroxyprop-2-enyl)phenol
PubChem CID90190141
Molecular FormulaC9H8BrClO2
Molecular Weight263.52 g/mol
Exact Mass261.94
IUPAC Name4-bromo-2-chloro-6-(1-hydroxyprop-2-enyl)phenol
SMILESC=CC(O)c1cc(Br)cc(Cl)c1O
InChIInChI=1S/C9H8BrClO2/c1-2-8(12)6-3-5(10)4-7(11)9(6)13/h2-4,8,12-13H,1H2
InChIKeyPNJHHUILNLGIAV-UHFFFAOYSA-N
XLogP3.03
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.52
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-6-(1-hydroxyprop-2-enyl)phenol?
The IUPAC name of 4-bromo-2-chloro-6-(1-hydroxyprop-2-enyl)phenol (CID 90190141) is 4-bromo-2-chloro-6-(1-hydroxyprop-2-enyl)phenol.
What is the SMILES notation for 4-bromo-2-chloro-6-(1-hydroxyprop-2-enyl)phenol?
The canonical SMILES for 4-bromo-2-chloro-6-(1-hydroxyprop-2-enyl)phenol is C=CC(O)c1cc(Br)cc(Cl)c1O.
What is the InChIKey of 4-bromo-2-chloro-6-(1-hydroxyprop-2-enyl)phenol?
The InChIKey is PNJHHUILNLGIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClO2/c1-2-8(12)6-3-5(10)4-7(11)9(6)13/h2-4,8,12-13H,1H2.
What are the key properties of 4-bromo-2-chloro-6-(1-hydroxyprop-2-enyl)phenol?
4-bromo-2-chloro-6-(1-hydroxyprop-2-enyl)phenol has a molecular weight of 263.52 g/mol, XLogP of 3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-6-(1-hydroxyprop-2-enyl)phenol is sourced from PubChem (CID 90190141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).