4-bromo-2-(3-chloroprop-1-enyl)phenol

C9H8BrClO — CID 169478320

IUPAC4-bromo-2-(3-chloroprop-1-enyl)phenol
SMILESOc1ccc(Br)cc1C=CCCl
InChIInChI=1S/C9H8BrClO/c10-8-3-4-9(12)7(6-8)2-1-5-11/h1-4,6,12H,5H2
InChIKeyWRYTUUNJTAERLR-UHFFFAOYSA-N
MW247.52 g/mol
LogP3.41
Rot. Bonds2

About 4-bromo-2-(3-chloroprop-1-enyl)phenol

4-bromo-2-(3-chloroprop-1-enyl)phenol (PubChem CID 169478320) has the molecular formula C9H8BrClO and a molecular weight of 247.52 g/mol. Its IUPAC name is 4-bromo-2-(3-chloroprop-1-enyl)phenol.

Molecular Properties

Compound Name4-bromo-2-(3-chloroprop-1-enyl)phenol
PubChem CID169478320
Molecular FormulaC9H8BrClO
Molecular Weight247.52 g/mol
Exact Mass245.94
IUPAC Name4-bromo-2-(3-chloroprop-1-enyl)phenol
SMILESOc1ccc(Br)cc1C=CCCl
InChIInChI=1S/C9H8BrClO/c10-8-3-4-9(12)7(6-8)2-1-5-11/h1-4,6,12H,5H2
InChIKeyWRYTUUNJTAERLR-UHFFFAOYSA-N
XLogP3.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.52
LogP ≤ 53.41
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

5-bromo-2-(3-chloroprop-1-enyl)phenol
CID 169478321
4-bromo-2-[(E)-3-hydroxyprop-1-enyl]phenol
CID 12641145
4-bromo-2-[(E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]phenol
CID 23471173
3-(5-bromo-2-hydroxyphenyl)prop-2-enal
CID 73179999
N-[(E)-2-(5-bromo-2-hydroxyphenyl)ethenyl]formamide
CID 14800296
5-bromo-3-(3-chloroprop-1-enyl)-1H-pyridin-2-one
CID 169478340
4-bromo-2-[(E)-4-phenylmethoxybut-1-enyl]phenol;ethane
CID 143771416
5-bromo-2-[3-(methylamino)prop-1-enyl]phenol
CID 169474606
3-bromo-2-(3-chloroprop-1-enyl)phenol
CID 169478503
2-(5-bromo-2-hydroxyphenyl)ethenone
CID 176516988
5-bromo-2-hydroxybenzaldehyde;4-bromo-2-[(E)-4-phenylmethoxybut-1-enyl]phenol
CID 159341979
4-bromo-2-[8-[(5-bromo-2-hydroxyphenyl)methylideneamino]octyliminomethyl]phenol
CID 139081919

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(3-chloroprop-1-enyl)phenol?
The IUPAC name of 4-bromo-2-(3-chloroprop-1-enyl)phenol (CID 169478320) is 4-bromo-2-(3-chloroprop-1-enyl)phenol.
What is the SMILES notation for 4-bromo-2-(3-chloroprop-1-enyl)phenol?
The canonical SMILES for 4-bromo-2-(3-chloroprop-1-enyl)phenol is Oc1ccc(Br)cc1C=CCCl.
What is the InChIKey of 4-bromo-2-(3-chloroprop-1-enyl)phenol?
The InChIKey is WRYTUUNJTAERLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClO/c10-8-3-4-9(12)7(6-8)2-1-5-11/h1-4,6,12H,5H2.
What are the key properties of 4-bromo-2-(3-chloroprop-1-enyl)phenol?
4-bromo-2-(3-chloroprop-1-enyl)phenol has a molecular weight of 247.52 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(3-chloroprop-1-enyl)phenol is sourced from PubChem (CID 169478320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).