3-(3-bromoprop-1-enyl)-4-chlorophenol

C9H8BrClO — CID 169475079

IUPAC3-(3-bromoprop-1-enyl)-4-chlorophenol
SMILESOc1ccc(Cl)c(C=CCBr)c1
InChIInChI=1S/C9H8BrClO/c10-5-1-2-7-6-8(12)3-4-9(7)11/h1-4,6,12H,5H2
InChIKeyHVNVSVOOGSRBRK-UHFFFAOYSA-N
MW247.52 g/mol
LogP3.45
Rot. Bonds2

About 3-(3-bromoprop-1-enyl)-4-chlorophenol

3-(3-bromoprop-1-enyl)-4-chlorophenol (PubChem CID 169475079) has the molecular formula C9H8BrClO and a molecular weight of 247.52 g/mol. Its IUPAC name is 3-(3-bromoprop-1-enyl)-4-chlorophenol.

Molecular Properties

Compound Name3-(3-bromoprop-1-enyl)-4-chlorophenol
PubChem CID169475079
Molecular FormulaC9H8BrClO
Molecular Weight247.52 g/mol
Exact Mass245.94
IUPAC Name3-(3-bromoprop-1-enyl)-4-chlorophenol
SMILESOc1ccc(Cl)c(C=CCBr)c1
InChIInChI=1S/C9H8BrClO/c10-5-1-2-7-6-8(12)3-4-9(7)11/h1-4,6,12H,5H2
InChIKeyHVNVSVOOGSRBRK-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
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

4-Chloro-3-methylphenol
CID 1732
4-Chloro-3,5-dimethylphenol
CID 2723
Sodium p-chloro-m-cresol
CID 23672305
4-Chloro-2,5-xylenol
CID 70756
2,4-Dichloro-m-cresol
CID 87305
4-Chloro-3-(trifluoromethyl)phenol
CID 80520
4-Chloro-3-ethylphenol
CID 84223
Phenol, chlorodimethyl-
CID 74075
2,4-Dichloro-3-ethylphenol
CID 188723
2-Chloro-m-cresol
CID 14852
4-Chloro-3-(hydroxymethyl)phenol
CID 24721530
2-Allyl-4-chlorophenol
CID 84143

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromoprop-1-enyl)-4-chlorophenol?
The IUPAC name of 3-(3-bromoprop-1-enyl)-4-chlorophenol (CID 169475079) is 3-(3-bromoprop-1-enyl)-4-chlorophenol.
What is the SMILES notation for 3-(3-bromoprop-1-enyl)-4-chlorophenol?
The canonical SMILES for 3-(3-bromoprop-1-enyl)-4-chlorophenol is Oc1ccc(Cl)c(C=CCBr)c1.
What is the InChIKey of 3-(3-bromoprop-1-enyl)-4-chlorophenol?
The InChIKey is HVNVSVOOGSRBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClO/c10-5-1-2-7-6-8(12)3-4-9(7)11/h1-4,6,12H,5H2.
What are the key properties of 3-(3-bromoprop-1-enyl)-4-chlorophenol?
3-(3-bromoprop-1-enyl)-4-chlorophenol has a molecular weight of 247.52 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromoprop-1-enyl)-4-chlorophenol is sourced from PubChem (CID 169475079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).