2-(3-bromoprop-1-enyl)-3-chlorophenol

C9H8BrClO — CID 169476663

IUPAC2-(3-bromoprop-1-enyl)-3-chlorophenol
SMILESOc1cccc(Cl)c1C=CCBr
InChIInChI=1S/C9H8BrClO/c10-6-2-3-7-8(11)4-1-5-9(7)12/h1-5,12H,6H2
InChIKeyYNFLEQPZGNBDIW-UHFFFAOYSA-N
MW247.52 g/mol
LogP3.45
Rot. Bonds2

About 2-(3-bromoprop-1-enyl)-3-chlorophenol

2-(3-bromoprop-1-enyl)-3-chlorophenol (PubChem CID 169476663) has the molecular formula C9H8BrClO and a molecular weight of 247.52 g/mol. Its IUPAC name is 2-(3-bromoprop-1-enyl)-3-chlorophenol.

Molecular Properties

Compound Name2-(3-bromoprop-1-enyl)-3-chlorophenol
PubChem CID169476663
Molecular FormulaC9H8BrClO
Molecular Weight247.52 g/mol
Exact Mass245.94
IUPAC Name2-(3-bromoprop-1-enyl)-3-chlorophenol
SMILESOc1cccc(Cl)c1C=CCBr
InChIInChI=1S/C9H8BrClO/c10-6-2-3-7-8(11)4-1-5-9(7)12/h1-5,12H,6H2
InChIKeyYNFLEQPZGNBDIW-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

3-bromo-2-(3-chloroprop-1-enyl)phenol
CID 169478503
5-(3-bromoprop-1-enyl)-2-chlorophenol
CID 169475092
2-(4-chlorobut-1-enyl)benzene-1,3-diol
CID 170498728
3-(2,6-dichlorophenyl)prop-2-en-1-amine
CID 76539417
2-(3-aminoprop-1-enyl)-3-bromophenol
CID 169464695
4-(2,6-dihydroxyphenyl)but-3-enal
CID 170481439
3-(3-bromoprop-1-enyl)-4-chlorophenol
CID 169475079
2-(2-chlorophenyl)benzene-1,3-diol
CID 163363337
N-[3-(2,6-dichlorophenyl)prop-2-enyl]-2-methylpropan-1-amine
CID 79347868
bis(2-chlorophenol);tungsten
CID 88625581
2-(3-bromoprop-1-enyl)-1,3-dichloro-5-(trifluoromethyl)benzene
CID 169476243
1,3-dichloro-2-[(E)-hept-1-enyl]benzene
CID 20721002

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromoprop-1-enyl)-3-chlorophenol?
The IUPAC name of 2-(3-bromoprop-1-enyl)-3-chlorophenol (CID 169476663) is 2-(3-bromoprop-1-enyl)-3-chlorophenol.
What is the SMILES notation for 2-(3-bromoprop-1-enyl)-3-chlorophenol?
The canonical SMILES for 2-(3-bromoprop-1-enyl)-3-chlorophenol is Oc1cccc(Cl)c1C=CCBr.
What is the InChIKey of 2-(3-bromoprop-1-enyl)-3-chlorophenol?
The InChIKey is YNFLEQPZGNBDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClO/c10-6-2-3-7-8(11)4-1-5-9(7)12/h1-5,12H,6H2.
What are the key properties of 2-(3-bromoprop-1-enyl)-3-chlorophenol?
2-(3-bromoprop-1-enyl)-3-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 2-(3-bromoprop-1-enyl)-3-chlorophenol is sourced from PubChem (CID 169476663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).